#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wka s GLN 5 N 0.00 3.46 0.39 0.54 0.00 -1.26 -4.98 119.66 117.81 2wka s GLN 5 Ca 0.00 1.88 -0.26 0.00 -0.00 0.00 0.00 55.36 56.98 2wka s GLN 5 Cb 0.00 -2.27 -0.09 0.00 0.00 0.00 0.00 33.01 30.65 2wka s GLN 5 CO 0.00 -0.83 1.28 -0.51 0.00 0.00 0.00 175.29 175.23 2wka s LEU 6 N -3.36 4.25 0.62 2.60 2.01 -1.26 -5.01 118.68 118.53 2wka s LEU 6 Ca 0.68 2.61 -0.19 0.00 0.01 0.00 0.00 54.13 57.24 2wka s LEU 6 Cb -0.31 -3.87 -0.03 0.00 0.01 0.00 0.00 46.19 41.99 2wka s LEU 6 CO 0.37 -0.76 1.25 -2.16 1.01 0.00 0.00 176.35 176.07 2wka s PRO 7 N -2.16 2.79 0.36 1.29 0.04 -1.26 -4.63 135.00 131.43 2wka s PRO 7 Ca 0.55 1.95 0.15 0.00 0.04 0.00 0.00 61.00 63.69 2wka s PRO 7 Cb -0.37 -1.91 1.01 0.00 0.04 0.00 0.00 34.50 33.28 2wka s PRO 7 CO 0.48 -1.38 1.75 -0.44 0.04 0.00 0.00 177.00 177.44 2wka h ASP 8 N 0.76 0.55 0.49 6.66 3.32 -1.97 0.37 116.42 126.60 2wka h ASP 8 Ca -0.51 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.62 2wka h ASP 8 Cb 1.32 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 2wka h ASP 8 CO 0.54 0.09 -0.13 2.19 -1.72 0.00 0.00 179.24 180.21 2wka h PHE 9 N 0.47 0.00 0.03 4.55 -0.00 -2.00 0.19 116.94 120.18 2wka h PHE 9 Ca 0.62 0.00 -0.32 0.00 -0.00 0.00 0.00 57.97 58.28 2wka h PHE 9 Cb 1.40 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 37.31 2wka h PHE 9 CO -0.00 0.13 -1.75 -0.89 -0.00 0.00 0.00 178.31 175.80 2wka n ILE 10 N -3.55 1.59 -0.19 0.88 5.41 -0.36 -4.24 119.36 118.90 2wka n ILE 10 Ca -0.01 -0.27 -0.03 0.00 1.00 0.00 0.00 62.75 63.44 2wka n ILE 10 Cb 0.27 -1.90 0.08 0.00 -0.71 0.00 0.00 39.64 37.38 2wka n ILE 10 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 2wka h GLN 11 N -0.69 0.51 -0.49 0.38 5.75 -0.70 -1.37 115.11 118.52 2wka h GLN 11 Ca -0.45 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.08 2wka h GLN 11 Cb 1.57 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 29.95 2wka h GLN 11 CO -0.17 0.34 0.20 -0.91 -2.65 0.00 0.00 178.83 175.64 2wka h ASN 12 N 0.53 0.25 -0.19 -0.69 2.35 -0.86 -0.03 115.58 116.94 2wka h ASN 12 Ca 0.26 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2wka h ASN 12 Cb 0.20 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 2wka h ASN 12 CO -0.19 0.18 0.10 0.50 -1.65 0.00 0.00 177.43 176.36 2wka h LYS 13 N 0.40 0.27 -0.48 0.81 3.64 -1.53 -2.01 116.57 117.67 2wka h LYS 13 Ca 0.22 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2wka h LYS 13 Cb 0.20 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2wka h LYS 13 CO -0.20 0.26 0.25 0.82 -2.27 0.00 0.00 179.45 178.31 2wka h ILE 14 N 0.20 1.17 -0.20 2.00 1.08 -1.07 -0.98 117.51 119.72 2wka h ILE 14 Ca 0.07 -0.45 0.04 0.00 -0.39 0.00 0.00 64.86 64.12 2wka h ILE 14 Cb 0.08 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 2wka h ILE 14 CO -0.01 0.19 -0.03 0.44 -0.69 0.00 0.00 178.15 178.05 2wka h ASP 15 N 0.63 -0.14 -0.65 1.72 3.32 -0.85 -0.57 116.42 119.88 2wka h ASP 15 Ca 0.17 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 2wka h ASP 15 Cb 0.07 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2wka h ASP 15 CO -0.03 -0.04 0.11 -0.74 -1.72 0.00 0.00 179.24 176.82 2wka h HIS 16 N 0.03 1.14 -0.05 4.55 2.76 -1.29 -1.73 115.15 120.57 2wka h HIS 16 Ca 0.09 -0.16 -0.00 0.00 -2.20 0.00 0.00 60.37 58.11 2wka h HIS 16 Cb 0.13 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 28.78 2wka h HIS 16 CO -0.20 0.96 0.03 -0.92 -1.30 0.00 0.00 177.93 176.50 2wka h TYR 17 N 0.99 0.06 -0.88 5.26 3.20 -0.69 0.20 116.97 125.11 2wka h TYR 17 Ca 0.20 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2wka h TYR 17 Cb 0.43 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 2wka h TYR 17 CO 0.03 0.11 0.56 0.82 -1.64 0.00 0.00 178.16 178.04 2wka h ILE 18 N 0.00 1.23 -0.58 1.81 2.04 -1.01 0.19 117.51 121.19 2wka h ILE 18 Ca 0.02 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 2wka h ILE 18 Cb 0.06 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.08 2wka h ILE 18 CO -0.00 0.24 0.18 -0.33 0.00 0.00 0.00 178.15 178.23 2wka h GLU 19 N 1.21 0.90 0.00 2.37 5.08 -0.95 -0.06 114.58 123.12 2wka h GLU 19 Ca 0.32 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2wka h GLU 19 Cb -0.10 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.02 2wka h GLU 19 CO -0.07 0.81 -0.63 0.09 -1.00 0.00 0.00 179.01 178.22 2wka n ASN 20 N -4.42 0.66 0.00 1.42 3.02 0.03 -3.66 115.26 112.31 2wka n ASN 20 Ca 0.03 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 2wka n ASN 20 Cb 0.21 0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2wka n ASN 20 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2wka n TYR 21 N -2.02 0.00 -0.04 3.10 4.02 0.61 -4.80 117.16 118.03 2wka n TYR 21 Ca 0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.83 2wka n TYR 21 Cb 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.71 2wka n TYR 21 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2wka n PHE 22 N -1.58 0.00 -0.00 -0.72 3.72 -0.55 -4.14 117.46 114.19 2wka n PHE 22 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 2wka n PHE 22 Cb 0.17 -0.35 0.44 0.00 -0.94 0.00 0.00 39.48 38.80 2wka n PHE 22 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2wka h ASP 23 N -0.43 0.45 0.85 4.37 3.32 -1.14 -2.79 116.42 121.05 2wka h ASP 23 Ca -0.19 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2wka h ASP 23 Cb 0.96 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2wka h ASP 23 CO -0.12 0.32 0.00 2.30 -1.72 0.00 0.00 179.24 180.02 2wka n ILE 24 N -4.48 0.62 -3.13 0.35 -0.00 -1.24 -4.68 119.36 106.81 2wka n ILE 24 Ca 0.04 0.09 -0.31 0.00 -0.00 0.00 0.00 62.75 62.56 2wka n ILE 24 Cb 0.09 -0.83 -0.05 0.00 -0.00 0.00 0.00 39.64 38.85 2wka n ILE 24 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 2wka s ASN 25 N -3.54 6.63 0.39 7.28 0.01 -1.05 -4.97 114.94 119.69 2wka s ASN 25 Ca 0.09 1.10 0.11 0.00 -0.71 0.00 0.00 52.86 53.45 2wka s ASN 25 Cb 0.13 -2.30 0.92 0.00 0.41 0.00 0.00 41.25 40.40 2wka s ASN 25 CO 0.42 -0.24 1.92 0.11 -1.51 0.00 0.00 177.10 177.81 2wka h LYS 26 N 1.95 0.55 -0.49 -0.60 1.79 -1.88 -0.66 116.57 117.22 2wka h LYS 26 Ca -0.47 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 2wka h LYS 26 Cb 1.18 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 2wka h LYS 26 CO 0.66 0.36 0.00 0.27 -1.08 0.00 0.00 179.45 179.66 2wka n ASN 27 N -4.50 3.44 -0.44 0.86 0.23 -1.26 -4.93 115.26 108.66 2wka n ASN 27 Ca 0.14 -1.98 -0.06 0.00 -0.53 0.00 0.00 54.58 52.15 2wka n ASN 27 Cb 0.43 -0.32 -0.02 0.00 -2.08 0.00 0.00 39.78 37.78 2wka n ASN 27 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wka n GLY 28 N 1.52 0.63 3.78 4.83 0.00 -0.26 -4.98 105.19 110.72 2wka n GLY 28 Ca 0.21 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 2wka n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wka s LYS 29 N -2.22 2.40 0.67 1.61 1.02 -1.22 -4.36 119.74 117.65 2wka s LYS 29 Ca 0.00 -1.61 -0.17 0.00 0.02 0.00 0.00 55.97 54.21 2wka s LYS 29 Cb 0.00 -2.20 -0.02 0.00 -0.52 0.00 0.00 37.83 35.10 2wka s LYS 29 CO 0.00 -0.03 1.03 1.58 -0.92 0.00 0.00 175.35 177.01 2wka n HIS 30 N -1.30 0.98 -0.07 3.18 -0.00 -1.26 -4.61 115.22 112.14 2wka n HIS 30 Ca -0.01 0.41 0.23 0.00 -0.00 0.00 0.00 57.72 58.36 2wka n HIS 30 Cb 0.62 -2.14 0.70 0.00 -0.00 0.00 0.00 29.99 29.17 2wka n HIS 30 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2wka h LEU 31 N 0.15 0.00 -0.17 0.27 5.85 -1.94 -1.14 115.31 118.34 2wka h LEU 31 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2wka h LEU 31 Cb 1.35 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2wka h LEU 31 CO 0.49 0.00 0.00 1.33 -0.34 0.00 0.00 178.44 179.93 2wka n VAL 32 N -4.34 0.63 -3.43 1.05 0.24 -1.26 -4.67 118.33 106.55 2wka n VAL 32 Ca 0.13 0.08 -0.41 0.00 -2.04 0.00 0.00 64.34 62.09 2wka n VAL 32 Cb 0.74 -0.83 -0.10 0.00 -1.47 0.00 0.00 33.84 32.18 2wka n VAL 32 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2wka s LEU 33 N -3.66 4.66 0.00 1.34 1.43 -0.43 -4.76 118.68 117.26 2wka s LEU 33 Ca 0.09 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2wka s LEU 33 Cb 0.12 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2wka s LEU 33 CO 0.43 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 177.24 2wka n GLY 34 N 5.06 3.71 3.86 -3.19 0.00 -1.26 -4.84 105.19 108.52 2wka n GLY 34 Ca -0.10 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 2wka n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wka s LYS 35 N 4.58 3.88 0.07 1.61 2.20 -1.26 -5.05 119.74 125.77 2wka s LYS 35 Ca 0.00 0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 56.02 2wka s LYS 35 Cb 0.00 -2.28 -0.05 0.00 -1.51 0.00 0.00 37.83 33.99 2wka s LYS 35 CO 0.00 -0.12 1.07 -1.14 -0.36 0.00 0.00 175.35 174.80 2wka s GLN 36 N -3.85 4.55 0.66 4.03 0.74 -1.26 -5.03 119.66 119.50 2wka s GLN 36 Ca 0.55 1.59 -0.12 0.00 0.05 0.00 0.00 55.36 57.43 2wka s GLN 36 Cb -0.10 -3.38 -0.01 0.00 1.10 0.00 0.00 33.01 30.63 2wka s GLN 36 CO 0.30 -0.05 1.06 0.00 -0.55 0.00 0.00 175.29 176.05 2wka s ALA 37 N 0.62 2.68 0.33 1.58 0.00 -1.26 -5.08 121.76 120.63 2wka s ALA 37 Ca 0.53 0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.76 2wka s ALA 37 Cb -0.26 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2wka s ALA 37 CO 0.30 -1.10 0.32 -1.12 0.00 0.00 0.00 175.76 174.16 2wka s SER 38 N -3.42 5.44 0.61 0.00 0.01 -1.26 -5.00 113.70 110.07 2wka s SER 38 Ca 0.60 -0.42 0.31 0.00 1.31 0.00 0.00 55.95 57.76 2wka s SER 38 Cb -0.15 -1.06 1.83 0.00 0.21 0.00 0.00 66.02 66.85 2wka s SER 38 CO 0.49 -0.34 2.19 -0.65 0.41 0.00 0.00 173.24 175.33 2wka h PRO 39 N 1.20 0.00 0.00 12.44 0.11 -2.05 -1.42 132.00 142.28 2wka h PRO 39 Ca -0.45 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 2wka h PRO 39 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2wka h PRO 39 CO 0.58 0.00 -0.50 -0.44 -0.21 0.00 0.00 178.00 177.43 2wka h ASP 40 N 0.00 0.00 -4.23 -2.05 5.19 -2.00 -3.47 116.42 109.86 2wka h ASP 40 Ca 0.04 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.94 2wka h ASP 40 Cb 0.25 0.00 0.10 0.00 0.18 0.00 0.00 39.33 39.86 2wka h ASP 40 CO -0.00 0.50 0.36 -1.81 -3.12 0.00 0.00 179.24 175.17 2wka s ASP 41 N -6.76 5.10 -0.30 6.45 1.01 -0.54 -5.00 116.67 116.63 2wka s ASP 41 Ca -0.01 1.91 -0.19 0.00 0.71 0.00 0.00 52.55 54.96 2wka s ASP 41 Cb 0.13 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.51 2wka s ASP 41 CO 0.73 -1.63 0.57 -0.63 0.21 0.00 0.00 175.17 174.43 2wka s ILE 42 N -2.52 4.99 -0.21 0.77 1.01 -0.10 -4.96 121.20 120.19 2wka s ILE 42 Ca 0.65 0.77 -0.06 0.00 0.00 0.00 0.00 60.65 62.00 2wka s ILE 42 Cb -0.19 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 2wka s ILE 42 CO 0.45 -0.09 0.04 -0.63 0.00 0.00 0.00 174.94 174.71 2wka s ILE 43 N 2.48 4.29 -0.41 2.92 1.01 -1.26 -1.02 121.20 129.22 2wka s ILE 43 Ca 0.23 -0.19 0.11 0.00 0.00 0.00 0.00 60.65 60.80 2wka s ILE 43 Cb -0.15 -2.96 0.40 0.00 0.01 0.00 0.00 42.46 39.75 2wka s ILE 43 CO 0.11 0.41 0.91 0.18 0.00 0.00 0.00 174.94 176.55 2wka n LEU 44 N 4.26 2.45 0.00 2.97 4.77 0.25 -4.81 117.00 126.89 2wka n LEU 44 Ca -0.17 -4.77 0.00 0.00 -0.03 0.00 0.00 56.01 51.05 2wka n LEU 44 Cb 0.52 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 2wka n LEU 44 CO 0.32 2.06 -0.44 0.00 -1.33 0.00 0.00 177.39 178.01 2wka n GLN 45 N -0.07 3.07 -2.71 3.23 6.02 -1.26 -1.25 117.38 124.41 2wka n GLN 45 Ca 0.24 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.86 2wka n GLN 45 Cb 0.66 -0.94 -0.06 0.00 1.02 0.00 0.00 30.24 30.92 2wka n GLN 45 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2wka s SER 46 N -2.60 7.19 0.00 1.08 0.15 -1.26 -4.89 113.70 113.37 2wka s SER 46 Ca 0.00 1.91 0.16 0.00 0.70 0.00 0.00 55.95 58.71 2wka s SER 46 Cb 0.00 -2.58 0.47 0.00 -1.71 0.00 0.00 66.02 62.20 2wka s SER 46 CO 0.00 -0.18 1.38 0.59 1.20 0.00 0.00 173.24 176.23 2wka n ASN 47 N 0.42 2.22 -3.93 5.45 3.02 -1.26 -4.68 115.26 116.49 2wka n ASN 47 Ca 0.03 -1.93 -0.41 0.00 -0.03 0.00 0.00 54.58 52.23 2wka n ASN 47 Cb 0.50 -0.24 -0.02 0.00 -0.61 0.00 0.00 39.78 39.41 2wka n ASN 47 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2wka n ASP 48 N 0.70 3.66 -0.03 6.41 4.64 -1.26 -3.40 116.55 127.27 2wka n ASP 48 Ca 0.15 -2.80 0.01 0.00 -1.38 0.00 0.00 54.79 50.77 2wka n ASP 48 Cb 0.37 -1.55 0.34 0.00 -1.04 0.00 0.00 41.12 39.24 2wka n ASP 48 CO 0.00 0.00 0.00 1.88 -0.82 0.00 0.00 177.20 178.26 2wka h TYR 49 N 7.07 0.60 -0.59 -0.67 0.05 -1.84 -0.61 116.97 120.98 2wka h TYR 49 Ca 0.48 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.24 2wka h TYR 49 Cb 0.71 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.26 2wka h TYR 49 CO 1.38 0.47 0.00 1.28 -1.05 0.00 0.00 178.16 180.24 2wka n LEU 50 N -4.38 5.44 -3.55 3.88 4.77 -1.26 -0.31 117.00 121.60 2wka n LEU 50 Ca 0.03 -2.80 -0.24 0.00 -0.03 0.00 0.00 56.01 52.97 2wka n LEU 50 Cb 0.14 -0.65 0.05 0.00 -2.33 0.00 0.00 43.42 40.63 2wka n LEU 50 CO 0.37 0.69 -0.04 0.00 -1.33 0.00 0.00 177.39 177.08 2wka n ALA 51 N 0.74 -2.42 0.55 -1.18 0.00 -0.24 -4.78 120.51 113.19 2wka n ALA 51 Ca 0.27 -0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.67 2wka n ALA 51 Cb 1.11 -4.20 0.03 0.00 0.00 0.00 0.00 19.45 16.39 2wka n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wka n LEU 52 N -3.90 1.81 0.03 0.00 4.77 -1.26 -4.65 117.00 113.81 2wka n LEU 52 Ca -0.13 -0.91 0.12 0.00 -0.03 0.00 0.00 56.01 55.07 2wka n LEU 52 Cb 0.62 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 42.28 2wka n LEU 52 CO 0.65 0.34 1.15 0.00 -1.33 0.00 0.00 177.39 178.20 2wka h ALA 53 N 2.43 2.10 -0.10 -1.18 0.00 -1.91 -2.10 119.26 118.50 2wka h ALA 53 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2wka h ALA 53 Cb 0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2wka h ALA 53 CO 0.00 -0.19 -0.07 -1.71 0.00 0.00 0.00 179.25 177.28 2wka n ASN 54 N -4.46 2.69 -4.67 0.00 5.15 -1.26 -4.94 115.26 107.76 2wka n ASN 54 Ca 0.06 -3.23 -0.42 0.00 -0.60 0.00 0.00 54.58 50.38 2wka n ASN 54 Cb 0.33 -0.49 -0.03 0.00 -0.53 0.00 0.00 39.78 39.05 2wka n ASN 54 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2wka s HIS 55 N -2.94 1.71 0.31 1.20 5.65 -0.79 -4.88 115.29 115.54 2wka s HIS 55 Ca 0.37 -0.18 0.06 0.00 0.25 0.00 0.00 55.06 55.56 2wka s HIS 55 Cb 0.32 -4.15 0.72 0.00 -1.18 0.00 0.00 32.58 28.29 2wka s HIS 55 CO 0.03 -4.96 1.82 -1.35 -0.65 0.00 0.00 174.74 169.63 2wka h PRO 56 N 9.74 0.78 -0.21 2.88 0.11 -1.95 -2.21 132.00 141.13 2wka h PRO 56 Ca -0.46 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 65.40 2wka h PRO 56 Cb 1.22 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2wka h PRO 56 CO 0.94 0.52 -0.64 -0.07 -0.21 0.00 0.00 178.00 178.54 2wka h LEU 57 N 0.81 0.88 -0.20 2.35 3.38 -1.99 -2.30 115.31 118.24 2wka h LEU 57 Ca 0.52 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2wka h LEU 57 Cb 0.74 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2wka h LEU 57 CO -0.29 1.30 0.06 0.40 0.09 0.00 0.00 178.44 179.99 2wka h ILE 58 N 0.57 1.20 -0.78 1.22 2.04 -1.83 -1.53 117.51 118.40 2wka h ILE 58 Ca -0.01 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.22 2wka h ILE 58 Cb 1.24 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 2wka h ILE 58 CO 0.13 0.20 0.51 0.11 0.00 0.00 0.00 178.15 179.11 2wka h LYS 59 N 0.15 1.04 -0.19 2.37 1.57 -1.44 -1.76 116.57 118.30 2wka h LYS 59 Ca 0.07 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2wka h LYS 59 Cb 0.25 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2wka h LYS 59 CO -0.00 0.69 -0.09 0.00 -0.57 0.00 0.00 179.45 179.48 2wka h ALA 60 N 1.50 0.27 -0.51 3.86 0.00 -1.24 -0.53 119.26 122.62 2wka h ALA 60 Ca 0.29 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2wka h ALA 60 Cb -0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2wka h ALA 60 CO -0.06 0.09 0.26 -0.09 0.00 0.00 0.00 179.25 179.46 2wka h ARG 61 N 0.09 0.50 0.14 0.00 9.65 -1.02 0.25 114.38 124.00 2wka h ARG 61 Ca 0.04 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 2wka h ARG 61 Cb 0.57 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.04 2wka h ARG 61 CO 0.03 0.33 -0.07 -0.07 2.80 0.00 0.00 179.97 182.99 2wka h LEU 62 N 0.51 -0.16 -0.24 3.80 3.38 -1.29 -1.00 115.31 120.30 2wka h LEU 62 Ca 0.22 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2wka h LEU 62 Cb 0.12 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 2wka h LEU 62 CO -0.15 0.09 -0.15 0.00 0.09 0.00 0.00 178.44 178.32 2wka h ALA 63 N 0.40 0.04 0.19 1.53 0.00 -0.94 0.23 119.26 120.70 2wka h ALA 63 Ca -0.02 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2wka h ALA 63 Cb 0.33 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2wka h ALA 63 CO 0.03 -0.56 -0.48 -0.22 0.00 0.00 0.00 179.25 178.02 2wka h LYS 64 N -0.13 -0.73 -0.69 0.00 3.64 -0.95 0.17 116.57 117.88 2wka h LYS 64 Ca 0.13 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2wka h LYS 64 Cb 0.33 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 2wka h LYS 64 CO -0.32 -0.49 0.46 0.77 -2.27 0.00 0.00 179.45 177.60 2wka h SER 65 N -0.76 0.76 0.15 4.20 0.02 -0.82 -3.18 113.55 113.92 2wka h SER 65 Ca -0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2wka h SER 65 Cb 0.75 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2wka h SER 65 CO -0.23 0.54 -0.07 0.17 -1.14 0.00 0.00 176.83 176.10 2wka h LEU 66 N 0.89 -0.17 -9.09 5.07 8.10 -0.15 -3.42 115.31 116.54 2wka h LEU 66 Ca 0.26 -0.19 -0.58 0.00 0.11 0.00 0.00 57.88 57.48 2wka h LEU 66 Cb -0.04 0.04 0.20 0.00 -0.44 0.00 0.00 40.66 40.42 2wka h LEU 66 CO -0.06 0.39 -1.24 0.18 -4.11 0.00 0.00 178.44 173.59 2wka n LEU 67 N -4.89 -3.65 0.00 0.17 4.32 0.55 -5.09 117.00 108.40 2wka n LEU 67 Ca -0.05 0.52 0.00 0.00 -0.02 0.00 0.00 56.01 56.46 2wka n LEU 67 Cb 0.18 -0.88 0.00 0.00 -1.62 0.00 0.00 43.42 41.10 2wka n LEU 67 CO 0.14 -4.89 0.00 1.21 -1.22 0.00 0.00 177.39 172.64 2wka n GLU 68 N 1.46 0.00 0.00 3.23 2.13 -1.26 -4.80 120.64 121.40 2wka n GLU 68 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 2wka n GLU 68 Cb 0.50 -0.08 0.00 0.00 0.27 0.00 0.00 31.44 32.13 2wka n GLU 68 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2wka n MET 75 N 0.00 0.00 -2.27 5.31 0.00 -1.26 -5.12 117.12 113.77 2wka n MET 75 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.31 2wka n MET 75 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 2wka n MET 75 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2wka s SER 76 N -0.85 6.64 0.10 3.17 0.15 -1.26 -1.83 113.70 119.82 2wka s SER 76 Ca 0.00 2.41 0.18 0.00 0.70 0.00 0.00 55.95 59.24 2wka s SER 76 Cb 0.00 -2.62 0.76 0.00 -1.71 0.00 0.00 66.02 62.45 2wka s SER 76 CO 0.00 -0.60 1.56 0.00 1.20 0.00 0.00 173.24 175.40 2wka n ALA 77 N 0.32 1.65 -0.25 5.45 0.00 -1.24 -2.48 120.51 123.96 2wka n ALA 77 Ca 0.03 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.54 2wka n ALA 77 Cb 0.45 -1.29 0.31 0.00 0.00 0.00 0.00 19.45 18.92 2wka n ALA 77 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2wka h SER 78 N 0.00 0.76 0.76 0.00 0.02 -1.75 -0.83 113.55 112.51 2wka h SER 78 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2wka h SER 78 Cb 0.29 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2wka h SER 78 CO 0.00 0.47 0.00 0.49 -1.14 0.00 0.00 176.83 176.65 2wka n PHE 79 N -4.50 0.00 -1.53 3.45 3.72 -1.03 -3.77 117.46 113.80 2wka n PHE 79 Ca 0.13 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.42 2wka n PHE 79 Cb 0.26 -0.40 0.16 0.00 -0.94 0.00 0.00 39.48 38.56 2wka n PHE 79 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2wka n LEU 80 N -1.40 4.67 -1.20 4.37 4.77 -0.32 -4.64 117.00 123.25 2wka n LEU 80 Ca 0.10 -3.97 0.11 0.00 -0.03 0.00 0.00 56.01 52.22 2wka n LEU 80 Cb 0.28 -0.63 0.26 0.00 -2.33 0.00 0.00 43.42 40.99 2wka n LEU 80 CO 0.24 1.41 0.72 0.00 -1.33 0.00 0.00 177.39 178.43 2wka n GLN 81 N -1.05 2.59 -2.15 3.23 1.13 -1.24 -3.96 117.38 115.93 2wka n GLN 81 Ca 0.39 -2.43 -0.37 0.00 -1.94 0.00 0.00 57.00 52.65 2wka n GLN 81 Cb 1.02 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.86 2wka n GLN 81 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2wka s ASN 82 N -1.22 5.89 0.27 1.08 0.01 -1.26 -4.88 114.94 114.83 2wka s ASN 82 Ca 0.42 2.39 -0.07 0.00 -0.71 0.00 0.00 52.86 54.89 2wka s ASN 82 Cb 0.23 -2.61 0.47 0.00 0.41 0.00 0.00 41.25 39.75 2wka s ASN 82 CO 0.31 -1.12 1.57 0.44 -1.51 0.00 0.00 177.10 176.80 2wka h ASP 83 N 1.78 -0.79 0.78 -1.22 3.32 -1.96 0.10 116.42 118.45 2wka h ASP 83 Ca -0.50 0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2wka h ASP 83 Cb 1.26 0.55 0.00 0.00 0.22 0.00 0.00 39.33 41.37 2wka h ASP 83 CO 0.59 -0.31 0.00 0.00 -1.72 0.00 0.00 179.24 177.80 2wka n TYR 84 N -5.57 0.00 0.04 4.55 4.11 -1.26 -2.93 117.16 116.10 2wka n TYR 84 Ca 0.16 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.17 2wka n TYR 84 Cb 0.51 -0.50 -0.13 0.00 -0.00 0.00 0.00 39.34 39.22 2wka n TYR 84 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 2wka n ASP 85 N -1.50 0.19 -4.69 9.48 8.00 0.34 -4.94 116.55 123.43 2wka n ASP 85 Ca 0.06 0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.18 2wka n ASP 85 Cb 0.27 1.66 -0.03 0.00 -0.02 0.00 0.00 41.12 42.99 2wka n ASP 85 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2wka s LYS 86 N -3.48 4.44 0.43 -1.24 1.02 -1.04 -4.94 119.74 114.93 2wka s LYS 86 Ca -0.06 1.29 -0.24 0.00 0.02 0.00 0.00 55.97 56.98 2wka s LYS 86 Cb 0.13 -3.52 -0.08 0.00 -0.52 0.00 0.00 37.83 33.84 2wka s LYS 86 CO 0.88 -0.22 1.12 -1.25 -0.92 0.00 0.00 175.35 174.97 2wka s PRO 87 N 1.68 3.97 0.53 -1.68 0.04 -1.26 -4.95 135.00 133.33 2wka s PRO 87 Ca 0.46 1.68 0.23 0.00 0.04 0.00 0.00 61.00 63.41 2wka s PRO 87 Cb -0.19 -2.51 1.43 0.00 0.04 0.00 0.00 34.50 33.28 2wka s PRO 87 CO 0.19 -0.35 2.13 0.52 0.04 0.00 0.00 177.00 179.54 2wka h MET 88 N 2.33 0.00 -0.43 4.56 2.86 -1.96 -2.33 114.93 119.95 2wka h MET 88 Ca -0.49 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.27 2wka h MET 88 Cb 1.23 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 2wka h MET 88 CO 0.61 0.07 0.31 0.97 1.06 0.00 0.00 176.91 179.93 2wka h ILE 89 N 0.00 0.80 -0.12 -1.22 6.09 -1.92 -1.44 117.51 119.69 2wka h ILE 89 Ca -0.00 -0.01 -0.01 0.00 -1.37 0.00 0.00 64.86 63.47 2wka h ILE 89 Cb 0.15 0.77 -0.01 0.00 0.47 0.00 0.00 36.82 38.20 2wka h ILE 89 CO 0.01 0.00 0.03 -0.33 -3.07 0.00 0.00 178.15 174.79 2wka h GLU 90 N 0.02 0.20 -0.51 2.19 5.08 -1.74 0.10 114.58 119.93 2wka h GLU 90 Ca 0.20 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 2wka h GLU 90 Cb 0.79 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2wka h GLU 90 CO -0.01 0.38 0.08 0.87 -1.00 0.00 0.00 179.01 179.33 2wka h LYS 91 N -0.01 0.80 -0.46 2.33 1.57 -1.46 -1.16 116.57 118.18 2wka h LYS 91 Ca 0.04 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.52 2wka h LYS 91 Cb 0.27 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2wka h LYS 91 CO 0.00 0.75 -0.18 0.00 -0.57 0.00 0.00 179.45 179.45 2wka h ARG 92 N 0.76 0.90 -0.46 3.15 3.08 -1.13 -1.97 114.38 118.71 2wka h ARG 92 Ca 0.16 -0.36 -0.11 0.00 0.07 0.00 0.00 59.98 59.75 2wka h ARG 92 Cb 0.34 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2wka h ARG 92 CO 0.01 1.01 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.71 2wka h LEU 93 N 0.79 0.92 0.07 3.04 3.38 -0.52 -0.12 115.31 122.87 2wka h LEU 93 Ca 0.11 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2wka h LEU 93 Cb 0.73 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2wka h LEU 93 CO 0.06 1.08 -0.14 0.00 0.09 0.00 0.00 178.44 179.52 2wka h ALA 94 N 0.87 -0.23 -0.56 1.53 0.00 -1.13 -2.19 119.26 117.55 2wka h ALA 94 Ca 0.11 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2wka h ALA 94 Cb 0.69 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2wka h ALA 94 CO 0.05 -0.66 0.23 -0.22 0.00 0.00 0.00 179.25 178.65 2wka h LYS 95 N -0.28 0.42 -1.00 0.00 3.64 -1.28 0.52 116.57 118.59 2wka h LYS 95 Ca 0.03 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 2wka h LYS 95 Cb 0.30 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 31.94 2wka h LYS 95 CO -0.09 0.28 0.63 0.35 -2.27 0.00 0.00 179.45 178.35 2wka h PHE 96 N 0.43 1.14 0.00 1.91 3.57 -0.73 -2.78 116.94 120.49 2wka h PHE 96 Ca 0.27 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 2wka h PHE 96 Cb 0.27 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 2wka h PHE 96 CO -0.14 0.44 -1.43 2.41 -2.23 0.00 0.00 178.31 177.36 2wka n THR 97 N -4.62 0.44 -0.35 4.41 -1.04 -0.85 -4.67 114.28 107.60 2wka n THR 97 Ca 0.19 -0.55 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 2wka n THR 97 Cb 0.37 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 2wka n THR 97 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wka n GLY 98 N 1.23 1.26 3.86 3.41 0.00 0.14 -4.83 105.19 110.26 2wka n GLY 98 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2wka n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wka s PHE 99 N -2.97 3.52 0.12 1.61 0.40 -1.04 -4.93 117.98 114.69 2wka s PHE 99 Ca 0.00 1.31 -0.16 0.00 -0.60 0.00 0.00 56.93 57.47 2wka s PHE 99 Cb 0.00 -2.69 -0.03 0.00 0.51 0.00 0.00 43.02 40.82 2wka s PHE 99 CO 0.00 -0.43 1.61 -0.44 0.70 0.00 0.00 175.22 176.67 2wka h ASP 100 N 0.53 0.56 -5.07 1.36 3.32 -1.76 -3.39 116.42 111.97 2wka h ASP 100 Ca -0.46 -0.24 -0.14 0.00 0.02 0.00 0.00 57.03 56.21 2wka h ASP 100 Cb 1.19 -0.15 -0.19 0.00 0.22 0.00 0.00 39.33 40.41 2wka h ASP 100 CO 0.62 0.65 -0.62 -1.61 -1.72 0.00 0.00 179.24 176.55 2wka s GLU 101 N -5.28 0.48 -0.00 3.56 0.41 -0.58 -4.92 118.70 112.37 2wka s GLU 101 Ca -0.13 -0.77 0.03 0.00 -0.41 0.00 0.00 54.97 53.68 2wka s GLU 101 Cb 0.09 0.18 -0.01 0.00 -1.78 0.00 0.00 34.13 32.61 2wka s GLU 101 CO 0.76 -0.10 -0.09 0.00 -0.49 0.00 0.00 175.26 175.34 2wka s LEU 103 N -0.33 1.75 0.46 0.00 2.96 -0.08 -4.79 118.68 118.65 2wka s LEU 103 Ca 0.03 -0.43 -0.22 0.00 -0.22 0.00 0.00 54.13 53.29 2wka s LEU 103 Cb -0.04 -1.10 -0.08 0.00 0.50 0.00 0.00 46.19 45.47 2wka s LEU 103 CO -0.00 0.03 1.06 -0.76 -1.32 0.00 0.00 176.35 175.35 2wka s LEU 104 N 0.92 3.95 0.19 -0.68 1.43 -1.26 -1.19 118.68 122.04 2wka s LEU 104 Ca -0.08 2.01 0.01 0.00 -1.03 0.00 0.00 54.13 55.04 2wka s LEU 104 Cb -0.15 -4.41 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 2wka s LEU 104 CO -0.01 -0.72 0.04 -0.55 0.23 0.00 0.00 176.35 175.34 2wka s SER 105 N -1.78 1.01 0.17 2.29 0.15 0.33 -4.90 113.70 110.96 2wka s SER 105 Ca 0.64 -1.24 0.24 0.00 0.70 0.00 0.00 55.95 56.29 2wka s SER 105 Cb -0.20 0.17 0.91 0.00 -1.71 0.00 0.00 66.02 65.19 2wka s SER 105 CO 0.24 -0.65 1.73 0.00 1.20 0.00 0.00 173.24 175.76 2wka n GLN 106 N -0.27 0.16 -3.54 5.44 3.00 -1.26 -1.41 117.38 119.50 2wka n GLN 106 Ca -0.04 0.26 -0.07 0.00 -0.01 0.00 0.00 57.00 57.15 2wka n GLN 106 Cb 0.64 -1.74 -0.02 0.00 0.00 0.00 0.00 30.24 29.12 2wka n GLN 106 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2wka s SER 107 N -3.98 -0.27 0.28 1.08 1.04 -1.26 -3.63 113.70 106.96 2wka s SER 107 Ca 0.08 -0.01 -0.03 0.00 0.48 0.00 0.00 55.95 56.48 2wka s SER 107 Cb 0.12 0.29 0.39 0.00 0.10 0.00 0.00 66.02 66.92 2wka s SER 107 CO 0.46 -0.47 1.94 1.23 0.98 0.00 0.00 173.24 177.39 2wka h GLY 108 N 2.00 1.30 0.21 7.32 0.00 -1.77 -1.13 103.07 111.00 2wka h GLY 108 Ca -0.17 -0.47 0.05 0.00 0.00 0.00 0.00 47.33 46.75 2wka h GLY 108 CO 0.28 0.43 -0.25 -0.25 0.00 0.00 0.00 176.54 176.75 2wka h TRP 109 N 1.20 -0.67 -0.43 5.60 2.91 -1.93 -2.11 115.95 120.52 2wka h TRP 109 Ca 0.35 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.35 2wka h TRP 109 Cb -0.07 0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 28.88 2wka h TRP 109 CO -0.00 -0.33 0.05 -0.91 -1.03 0.00 0.00 178.44 176.22 2wka h ASN 110 N -0.29 0.62 0.19 2.65 4.21 -1.87 -1.61 115.58 119.47 2wka h ASN 110 Ca 0.12 -0.12 0.01 0.00 1.21 0.00 0.00 56.30 57.52 2wka h ASN 110 Cb 0.47 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.48 2wka h ASN 110 CO -0.35 0.66 -0.29 0.00 -1.29 0.00 0.00 177.43 176.17 2wka h ALA 111 N 1.42 -0.53 -0.22 -0.83 0.00 -0.77 0.43 119.26 118.76 2wka h ALA 111 Ca 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wka h ALA 111 Cb 0.33 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2wka h ALA 111 CO 0.01 -0.84 0.10 -0.91 0.00 0.00 0.00 179.25 177.60 2wka h ASN 112 N -0.54 0.30 -0.68 0.00 2.35 -1.28 -1.17 115.58 114.55 2wka h ASN 112 Ca 0.01 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 2wka h ASN 112 Cb 0.54 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 2wka h ASN 112 CO -0.12 0.36 0.43 0.58 -1.65 0.00 0.00 177.43 177.03 2wka h VAL 113 N 0.22 1.18 -0.17 2.81 2.07 -1.26 -1.87 116.25 119.24 2wka h VAL 113 Ca 0.07 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 2wka h VAL 113 Cb 0.14 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2wka h VAL 113 CO -0.01 0.18 -0.18 1.23 0.02 0.00 0.00 177.57 178.81 2wka h GLY 114 N 0.92 0.45 0.75 2.17 0.00 -0.80 -1.10 103.07 105.46 2wka h GLY 114 Ca 0.25 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.12 2wka h GLY 114 CO -0.05 0.43 -0.09 -2.00 0.00 0.00 0.00 176.54 174.83 2wka h LEU 115 N 0.06 -0.26 -0.97 3.11 5.85 -1.19 -1.02 115.31 120.90 2wka h LEU 115 Ca 0.03 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2wka h LEU 115 Cb 0.72 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 2wka h LEU 115 CO 0.04 -0.13 0.45 -0.07 -0.34 0.00 0.00 178.44 178.40 2wka h LEU 116 N -0.14 1.06 -1.42 2.25 3.38 -1.32 -0.65 115.31 118.46 2wka h LEU 116 Ca 0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2wka h LEU 116 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2wka h LEU 116 CO -0.11 0.86 0.05 -0.61 0.09 0.00 0.00 178.44 178.72 2wka h GLN 117 N 1.18 0.43 -0.00 1.13 4.15 -0.86 -0.36 115.11 120.78 2wka h GLN 117 Ca 0.30 -0.07 -0.25 0.00 0.77 0.00 0.00 58.65 59.40 2wka h GLN 117 Cb 0.04 -0.08 0.01 0.00 0.21 0.00 0.00 27.48 27.67 2wka h GLN 117 CO -0.05 0.42 -1.00 1.15 -1.93 0.00 0.00 178.83 177.43 2wka h THR 118 N 0.43 1.33 -0.01 2.39 2.02 0.14 -3.35 112.91 115.86 2wka h THR 118 Ca 0.10 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.94 2wka h THR 118 Cb 0.20 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2wka h THR 118 CO -0.00 0.71 -0.80 2.30 0.37 0.00 0.00 175.52 178.10 2wka n ILE 119 N -3.81 0.00 -3.69 3.11 -5.35 -0.38 -4.95 119.36 104.29 2wka n ILE 119 Ca -0.09 -0.10 -0.31 0.00 -0.27 0.00 0.00 62.75 61.98 2wka n ILE 119 Cb 0.86 1.09 -0.05 0.00 -1.74 0.00 0.00 39.64 39.80 2wka n ILE 119 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wka s GLN 121 N -2.67 2.11 0.57 0.00 -0.21 -1.26 -4.90 119.66 113.30 2wka s GLN 121 Ca 0.40 -1.92 0.33 0.00 0.02 0.00 0.00 55.36 54.19 2wka s GLN 121 Cb -0.12 -1.86 1.43 0.00 1.00 0.00 0.00 33.01 33.47 2wka s GLN 121 CO 0.25 -0.05 1.74 -1.35 -2.12 0.00 0.00 175.29 173.76 2wka h PRO 122 N 1.60 0.00 0.00 2.91 0.11 -1.80 -2.00 132.00 132.82 2wka h PRO 122 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2wka h PRO 122 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2wka h PRO 122 CO 0.73 0.00 -0.00 0.09 -0.21 0.00 0.00 178.00 178.61 2wka n ASN 123 N -3.86 2.02 -4.60 -2.05 3.02 -1.26 -3.89 115.26 104.64 2wka n ASN 123 Ca 0.20 -2.10 -0.49 0.00 -0.03 0.00 0.00 54.58 52.16 2wka n ASN 123 Cb 1.13 -0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 40.22 2wka n ASN 123 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2wka n THR 124 N -0.59 0.55 -2.39 3.41 -1.04 -0.75 -4.07 114.28 109.41 2wka n THR 124 Ca 0.02 -0.14 -0.42 0.00 -2.04 0.00 0.00 64.05 61.46 2wka n THR 124 Cb 0.29 -0.96 -0.03 0.00 -1.82 0.00 0.00 70.33 67.82 2wka n THR 124 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2wka s ASN 125 N 0.25 6.96 -0.30 8.00 0.01 -1.26 0.31 114.94 128.91 2wka s ASN 125 Ca 0.77 1.84 -0.00 0.00 -0.71 0.00 0.00 52.86 54.75 2wka s ASN 125 Cb -0.85 -2.55 0.06 0.00 0.41 0.00 0.00 41.25 38.32 2wka s ASN 125 CO 0.49 -0.69 -0.01 -0.69 -1.51 0.00 0.00 177.10 174.70 2wka s VAL 126 N 2.79 2.79 -0.62 1.60 1.01 0.52 -0.49 120.40 128.01 2wka s VAL 126 Ca 0.58 -1.54 -0.21 0.00 0.00 0.00 0.00 61.98 60.81 2wka s VAL 126 Cb -0.25 -2.66 0.08 0.00 0.00 0.00 0.00 36.38 33.55 2wka s VAL 126 CO 0.20 -0.16 0.83 -0.31 0.00 0.00 0.00 175.10 175.67 2wka s TYR 127 N 1.19 2.84 -0.10 5.22 2.02 0.23 -0.49 117.35 128.26 2wka s TYR 127 Ca -0.04 -0.71 0.02 0.00 -0.37 0.00 0.00 57.07 55.97 2wka s TYR 127 Cb -0.20 -4.12 -0.01 0.00 -0.40 0.00 0.00 41.96 37.23 2wka s TYR 127 CO -0.03 -1.45 -0.18 -1.50 -1.57 0.00 0.00 175.55 170.82 2wka s ILE 128 N 3.38 2.62 0.28 2.71 2.07 -1.01 -0.79 121.20 130.48 2wka s ILE 128 Ca 0.17 -0.83 -0.30 0.00 -1.41 0.00 0.00 60.65 58.28 2wka s ILE 128 Cb -0.20 -2.05 -0.12 0.00 0.13 0.00 0.00 42.46 40.22 2wka s ILE 128 CO 0.09 0.55 1.54 -0.67 -1.91 0.00 0.00 174.94 174.53 2wka n ASP 129 N 3.34 3.55 -0.33 4.50 -0.08 -1.03 -0.63 116.55 125.88 2wka n ASP 129 Ca -0.18 1.15 0.19 0.00 -1.51 0.00 0.00 54.79 54.44 2wka n ASP 129 Cb 0.53 -1.55 0.41 0.00 2.34 0.00 0.00 41.12 42.84 2wka n ASP 129 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2wka h PHE 130 N 4.52 0.84 -0.36 -0.67 -1.00 -1.19 -0.42 116.94 118.66 2wka h PHE 130 Ca -0.47 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.35 2wka h PHE 130 Cb 1.24 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.59 2wka h PHE 130 CO 0.57 -0.11 0.00 1.19 -1.61 0.00 0.00 178.31 178.36 2wka n PHE 131 N -5.03 0.47 -1.48 -0.55 3.72 -1.26 -4.97 117.46 108.36 2wka n PHE 131 Ca 0.28 -0.24 -0.36 0.00 -0.05 0.00 0.00 57.45 57.09 2wka n PHE 131 Cb 0.84 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.48 2wka n PHE 131 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wka n ALA 132 N 0.92 0.69 -1.59 4.37 0.00 -0.17 -4.75 120.51 119.98 2wka n ALA 132 Ca 0.17 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 2wka n ALA 132 Cb 0.45 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.61 2wka n ALA 132 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2wka n HIS 133 N -2.46 1.11 -0.10 0.00 -0.00 -1.26 -4.78 115.22 107.73 2wka n HIS 133 Ca 0.15 0.60 0.18 0.00 0.46 0.00 0.00 57.72 59.12 2wka n HIS 133 Cb 0.49 -2.22 0.59 0.00 -0.12 0.00 0.00 29.99 28.73 2wka n HIS 133 CO 0.00 0.00 0.00 1.98 0.46 0.00 0.00 176.34 178.78 2wka h MET 134 N 1.65 0.22 -0.36 1.57 4.05 -1.98 -0.04 114.93 120.04 2wka h MET 134 Ca -0.43 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 58.96 2wka h MET 134 Cb 1.34 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 32.07 2wka h MET 134 CO 0.58 0.14 0.12 0.66 0.23 0.00 0.00 176.91 178.64 2wka h SER 135 N 0.22 0.46 -0.13 1.39 4.64 -1.93 0.12 113.55 118.33 2wka h SER 135 Ca 0.33 -0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 61.45 2wka h SER 135 Cb 0.98 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.95 2wka h SER 135 CO -0.07 0.45 -0.51 -0.07 -0.87 0.00 0.00 176.83 175.76 2wka h LEU 136 N 0.51 0.67 -0.17 5.97 3.38 -1.35 0.89 115.31 125.21 2wka h LEU 136 Ca 0.12 -0.62 0.03 0.00 0.09 0.00 0.00 57.88 57.50 2wka h LEU 136 Cb 0.15 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2wka h LEU 136 CO -0.01 1.18 -0.01 -0.50 0.09 0.00 0.00 178.44 179.19 2wka h TRP 137 N 0.21 -0.03 -0.26 1.13 4.06 -1.21 -2.23 115.95 117.62 2wka h TRP 137 Ca -0.03 0.01 -0.13 0.00 2.06 0.00 0.00 58.89 60.81 2wka h TRP 137 Cb 1.14 0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 29.32 2wka h TRP 137 CO 0.11 -0.03 -0.37 0.93 -3.56 0.00 0.00 178.44 175.51 2wka h GLU 138 N 0.04 0.59 -0.99 0.49 4.39 -0.77 -2.02 114.58 116.32 2wka h GLU 138 Ca 0.08 -0.29 0.01 0.00 0.34 0.00 0.00 59.36 59.50 2wka h GLU 138 Cb 0.10 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 2wka h GLU 138 CO -0.14 0.87 0.66 0.78 -1.16 0.00 0.00 179.01 180.02 2wka h GLY 139 N 1.03 1.39 0.83 -3.84 0.00 -0.64 0.25 103.07 102.10 2wka h GLY 139 Ca 0.05 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 2wka h GLY 139 CO 0.07 0.51 -0.10 0.00 0.00 0.00 0.00 176.54 177.02 2wka h ALA 140 N 1.38 0.31 0.02 3.60 0.00 -1.28 -2.77 119.26 120.53 2wka h ALA 140 Ca 0.36 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2wka h ALA 140 Cb -0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2wka h ALA 140 CO -0.08 0.15 -0.06 -0.09 0.00 0.00 0.00 179.25 179.17 2wka h ARG 141 N 0.17 -0.12 -0.51 0.00 2.43 -0.90 -1.10 114.38 114.35 2wka h ARG 141 Ca 0.05 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.31 2wka h ARG 141 Cb 0.59 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 2wka h ARG 141 CO 0.03 -0.08 0.34 1.88 -1.51 0.00 0.00 179.97 180.64 2wka h TYR 142 N -0.12 0.34 -0.00 2.20 0.05 -0.53 0.17 116.97 119.09 2wka h TYR 142 Ca 0.02 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2wka h TYR 142 Cb 0.14 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.77 2wka h TYR 142 CO -0.12 0.17 0.00 0.00 -1.05 0.00 0.00 178.16 177.16 2wka n ALA 143 N -2.53 2.66 -2.50 3.88 0.00 -0.79 -4.89 120.51 116.33 2wka n ALA 143 Ca 0.08 -0.20 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 2wka n ALA 143 Cb 0.34 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 2wka n ALA 143 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wka n ASN 144 N -0.84 -4.39 -4.73 0.00 5.03 0.61 -3.95 115.26 106.99 2wka n ASN 144 Ca 0.21 0.10 -0.30 0.00 0.87 0.00 0.00 54.58 55.47 2wka n ASN 144 Cb 0.12 -3.70 0.14 0.00 -1.02 0.00 0.00 39.78 35.32 2wka n ASN 144 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wka s ALA 145 N -2.74 1.58 -0.48 5.41 0.00 -0.48 -4.19 121.76 120.85 2wka s ALA 145 Ca 0.03 -0.12 -0.18 0.00 0.00 0.00 0.00 51.96 51.68 2wka s ALA 145 Cb -0.02 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 19.99 2wka s ALA 145 CO 0.04 -2.32 0.57 -1.14 0.00 0.00 0.00 175.76 172.90 2wka s GLN 146 N -4.97 3.11 0.02 0.00 2.00 0.15 -4.78 119.66 115.18 2wka s GLN 146 Ca 0.63 -0.90 -0.26 0.00 -2.00 0.00 0.00 55.36 52.84 2wka s GLN 146 Cb -0.17 -4.07 -0.05 0.00 0.80 0.00 0.00 33.01 29.52 2wka s GLN 146 CO 0.57 -1.12 0.79 0.00 -0.50 0.00 0.00 175.29 175.02 2wka s ALA 147 N 2.43 3.33 -0.44 1.58 0.00 -1.26 -0.35 121.76 127.04 2wka s ALA 147 Ca 0.14 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.42 2wka s ALA 147 Cb -0.19 -3.05 0.13 0.00 0.00 0.00 0.00 23.12 20.01 2wka s ALA 147 CO 0.12 -0.02 0.21 -1.01 0.00 0.00 0.00 175.76 175.06 2wka s HIS 148 N 0.29 2.42 0.24 0.00 0.09 0.36 -4.91 115.29 113.77 2wka s HIS 148 Ca 0.40 -2.60 -0.30 0.00 -0.00 0.00 0.00 55.06 52.57 2wka s HIS 148 Cb -0.20 -2.20 -0.10 0.00 -0.00 0.00 0.00 32.58 30.08 2wka s HIS 148 CO 0.23 -0.80 1.44 -2.14 -0.00 0.00 0.00 174.74 173.47 2wka s PRO 149 N 0.38 4.27 -0.03 8.40 0.02 -1.26 -2.39 135.00 144.38 2wka s PRO 149 Ca 0.16 2.29 0.04 0.00 0.02 0.00 0.00 61.00 63.50 2wka s PRO 149 Cb -0.24 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.14 2wka s PRO 149 CO -0.03 -0.42 -0.13 -0.59 -0.33 0.00 0.00 177.00 175.50 2wka s PHE 150 N 0.07 2.72 0.42 6.54 -0.12 0.20 -4.89 117.98 122.92 2wka s PHE 150 Ca 0.60 -0.14 -0.25 0.00 -0.05 0.00 0.00 56.93 57.08 2wka s PHE 150 Cb -0.42 -1.61 -0.10 0.00 -0.63 0.00 0.00 43.02 40.26 2wka s PHE 150 CO 0.42 0.23 1.16 -1.33 -0.05 0.00 0.00 175.22 175.65 2wka n MET 151 N 2.13 1.68 -1.59 1.99 2.81 -1.26 -0.69 117.12 122.20 2wka n MET 151 Ca -0.17 0.60 -0.57 0.00 -1.81 0.00 0.00 57.70 55.75 2wka n MET 151 Cb 0.52 -2.24 -0.08 0.00 -0.71 0.00 0.00 33.22 30.71 2wka n MET 151 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 2wka n HIS 152 N -0.32 1.80 -1.50 2.03 -0.00 -1.26 -0.87 115.22 115.10 2wka n HIS 152 Ca 0.08 0.55 -0.17 0.00 0.46 0.00 0.00 57.72 58.64 2wka n HIS 152 Cb 0.39 -2.44 -0.07 0.00 -0.12 0.00 0.00 29.99 27.75 2wka n HIS 152 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 2wka n ASN 153 N 6.69 -5.07 -4.28 0.26 3.02 -1.26 -4.93 115.26 109.69 2wka n ASN 153 Ca 0.35 0.42 -0.44 0.00 -0.03 0.00 0.00 54.58 54.88 2wka n ASN 153 Cb 0.11 -4.08 -0.06 0.00 -0.61 0.00 0.00 39.78 35.15 2wka n ASN 153 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2wka s ASN 154 N -2.82 6.07 0.37 6.41 3.84 -0.05 -4.86 114.94 123.91 2wka s ASN 154 Ca 0.00 -1.91 0.20 0.00 0.21 0.00 0.00 52.86 51.36 2wka s ASN 154 Cb 0.00 -2.14 0.59 0.00 -0.55 0.00 0.00 41.25 39.14 2wka s ASN 154 CO 0.00 -0.78 1.68 0.00 -2.79 0.00 0.00 177.10 175.21 2wka h ASP 156 N 0.00 0.16 -0.68 0.00 3.32 -1.98 -0.09 116.42 117.14 2wka h ASP 156 Ca -0.00 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 56.92 2wka h ASP 156 Cb 0.98 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.45 2wka h ASP 156 CO 0.04 0.26 0.44 -0.74 -1.72 0.00 0.00 179.24 177.53 2wka h HIS 157 N 0.04 0.83 -0.25 4.55 2.76 -1.92 -2.11 115.15 119.05 2wka h HIS 157 Ca 0.04 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 2wka h HIS 157 Cb 0.15 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 2wka h HIS 157 CO -0.02 0.50 0.11 1.25 -1.30 0.00 0.00 177.93 178.47 2wka h LEU 158 N 0.88 0.33 -0.63 0.26 5.85 -1.31 -0.54 115.31 120.15 2wka h LEU 158 Ca 0.26 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.92 2wka h LEU 158 Cb -0.05 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 2wka h LEU 158 CO -0.08 0.38 0.31 0.03 -0.34 0.00 0.00 178.44 178.74 2wka h ARG 159 N 0.26 0.55 -0.25 1.25 3.08 -0.76 0.03 114.38 118.53 2wka h ARG 159 Ca 0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2wka h ARG 159 Cb 0.14 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2wka h ARG 159 CO -0.01 0.36 0.16 1.98 -1.07 0.00 0.00 179.97 181.39 2wka h MET 160 N 0.56 0.33 -0.50 0.04 4.05 -1.06 -0.40 114.93 117.94 2wka h MET 160 Ca 0.30 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.69 2wka h MET 160 Cb 0.26 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 2wka h MET 160 CO -0.22 0.24 0.31 -0.07 0.23 0.00 0.00 176.91 177.40 2wka h LEU 161 N 0.33 0.60 -0.27 3.39 3.38 -0.48 -0.79 115.31 121.46 2wka h LEU 161 Ca 0.09 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2wka h LEU 161 Cb -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2wka h LEU 161 CO -0.02 0.46 -0.12 0.40 0.09 0.00 0.00 178.44 179.25 2wka h ILE 162 N 0.68 1.30 -0.76 1.22 2.04 -0.88 0.12 117.51 121.23 2wka h ILE 162 Ca 0.18 -1.20 0.15 0.00 1.00 0.00 0.00 64.86 64.99 2wka h ILE 162 Cb -0.03 1.50 -0.10 0.00 -0.74 0.00 0.00 36.82 37.46 2wka h ILE 162 CO -0.04 0.38 0.30 -0.61 0.00 0.00 0.00 178.15 178.18 2wka h GLN 163 N 0.30 0.42 -0.09 2.37 5.75 -0.99 0.51 115.11 123.38 2wka h GLN 163 Ca 0.06 -0.03 -0.16 0.00 -0.15 0.00 0.00 58.65 58.38 2wka h GLN 163 Cb 0.63 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 29.09 2wka h GLN 163 CO 0.04 0.28 -0.57 -0.09 -2.65 0.00 0.00 178.83 175.84 2wka h ARG 164 N 0.43 0.54 0.00 1.69 2.43 -0.60 -3.38 114.38 115.49 2wka h ARG 164 Ca 0.42 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2wka h ARG 164 Cb 0.64 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2wka h ARG 164 CO -0.41 1.09 -1.22 0.72 -1.51 0.00 0.00 179.97 178.64 2wka n HIS 165 N -4.18 0.00 0.00 2.20 8.25 0.36 -5.10 115.22 116.75 2wka n HIS 165 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2wka n HIS 165 Cb 0.64 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.57 2wka n HIS 165 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wka n GLY 166 N 1.47 0.77 3.73 -1.41 0.00 0.16 -4.97 105.19 104.92 2wka n GLY 166 Ca 0.00 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 2wka n GLY 166 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wka s PRO 167 N -1.26 2.39 0.00 1.61 0.02 -1.26 -4.79 135.00 131.71 2wka s PRO 167 Ca 0.00 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.03 2wka s PRO 167 Cb 0.00 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.69 2wka s PRO 167 CO 0.00 -1.70 0.00 0.41 -0.33 0.00 0.00 177.00 175.38 2wka n GLY 168 N 0.82 1.29 3.57 0.52 0.00 -1.26 -4.46 105.19 105.66 2wka n GLY 168 Ca 0.15 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 2wka n GLY 168 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wka s ILE 169 N -2.21 4.77 -0.20 -0.61 1.01 0.35 -1.74 121.20 122.57 2wka s ILE 169 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 60.65 60.45 2wka s ILE 169 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 2wka s ILE 169 CO 0.00 0.38 0.46 -0.63 0.00 0.00 0.00 174.94 175.15 2wka s ILE 170 N 1.02 5.15 -0.13 2.92 1.01 0.05 0.77 121.20 131.98 2wka s ILE 170 Ca 0.05 0.84 0.01 0.00 0.00 0.00 0.00 60.65 61.54 2wka s ILE 170 Cb -0.14 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.56 2wka s ILE 170 CO 0.03 0.21 -0.15 -0.69 0.00 0.00 0.00 174.94 174.35 2wka s VAL 171 N 1.49 1.55 0.13 2.92 1.01 0.03 -0.68 120.40 126.84 2wka s VAL 171 Ca 0.22 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 2wka s VAL 171 Cb -0.15 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2wka s VAL 171 CO 0.09 0.45 0.03 0.68 0.00 0.00 0.00 175.10 176.35 2wka s VAL 172 N 1.31 0.26 0.14 2.92 -7.23 -0.79 -2.46 120.40 114.55 2wka s VAL 172 Ca 0.01 -1.91 -0.18 0.00 -1.81 0.00 0.00 61.98 58.09 2wka s VAL 172 Cb -0.14 -1.97 -0.07 0.00 0.56 0.00 0.00 36.38 34.77 2wka s VAL 172 CO -0.07 -0.56 0.61 -1.81 -0.31 0.00 0.00 175.10 172.95 2wka s ASP 173 N -3.05 6.98 0.01 4.85 1.11 -1.26 -1.00 116.67 124.29 2wka s ASP 173 Ca 0.21 1.24 -0.25 0.00 0.18 0.00 0.00 52.55 53.93 2wka s ASP 173 Cb 0.07 -2.35 -0.18 0.00 1.07 0.00 0.00 42.92 41.53 2wka s ASP 173 CO 0.00 0.14 1.37 0.77 1.18 0.00 0.00 175.17 178.63 2wka h SER 174 N 3.85 -0.07 -3.44 0.27 4.64 -1.47 -3.37 113.55 113.96 2wka h SER 174 Ca -0.49 -0.32 -0.66 0.00 -0.47 0.00 0.00 61.79 59.85 2wka h SER 174 Cb 1.20 0.02 -0.33 0.00 -0.31 0.00 0.00 62.40 62.98 2wka h SER 174 CO 0.65 0.29 -0.87 -0.63 -0.87 0.00 0.00 176.83 175.39 2wka s ILE 175 N -4.77 1.96 0.13 0.95 1.01 -1.26 -1.04 121.20 118.17 2wka s ILE 175 Ca -0.15 -0.97 -0.26 0.00 0.00 0.00 0.00 60.65 59.27 2wka s ILE 175 Cb 0.03 -1.69 -0.07 0.00 0.01 0.00 0.00 42.46 40.74 2wka s ILE 175 CO 0.65 0.54 0.81 -0.31 0.00 0.00 0.00 174.94 176.62 2wka s TYR 176 N 0.31 3.85 0.32 3.97 2.02 -0.37 -4.53 117.35 122.92 2wka s TYR 176 Ca -0.17 1.63 0.08 0.00 -0.37 0.00 0.00 57.07 58.25 2wka s TYR 176 Cb -0.17 -2.84 0.53 0.00 -0.40 0.00 0.00 41.96 39.08 2wka s TYR 176 CO 0.08 0.40 1.74 0.66 -1.57 0.00 0.00 175.55 176.85 2wka h SER 177 N 4.89 0.18 0.15 2.29 4.64 -1.91 -1.04 113.55 122.75 2wka h SER 177 Ca -0.45 -0.07 -0.36 0.00 -0.47 0.00 0.00 61.79 60.44 2wka h SER 177 Cb 1.21 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.21 2wka h SER 177 CO 0.68 0.56 -2.09 0.35 -0.87 0.00 0.00 176.83 175.47 2wka n THR 178 N -4.04 1.66 0.35 2.95 -2.24 -1.26 -4.63 114.28 107.07 2wka n THR 178 Ca -0.01 -0.68 0.04 0.00 -2.27 0.00 0.00 64.05 61.13 2wka n THR 178 Cb 0.46 -1.44 -0.06 0.00 -2.10 0.00 0.00 70.33 67.19 2wka n THR 178 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wka n LEU 179 N -3.30 0.35 -0.21 3.22 4.77 -1.24 -4.15 117.00 116.44 2wka n LEU 179 Ca -0.32 -0.41 -0.03 0.00 -0.03 0.00 0.00 56.01 55.22 2wka n LEU 179 Cb 1.04 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.12 2wka n LEU 179 CO 0.40 0.09 -0.03 0.61 -1.33 0.00 0.00 177.39 177.13 2wka n GLY 180 N 1.36 0.60 3.78 -0.72 0.00 -0.39 -2.98 105.19 106.83 2wka n GLY 180 Ca 0.01 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 2wka n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wka s THR 181 N -2.00 3.48 -0.11 2.61 -4.23 -1.26 -1.69 115.64 112.44 2wka s THR 181 Ca 0.00 0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 2wka s THR 181 Cb 0.00 -3.08 -0.02 0.00 1.34 0.00 0.00 72.50 70.74 2wka s THR 181 CO 0.00 -0.63 -0.11 -0.63 -0.54 0.00 0.00 174.62 172.71 2wka s ILE 182 N -2.98 3.31 0.50 2.99 1.01 -1.26 -1.23 121.20 123.53 2wka s ILE 182 Ca 0.60 -0.59 -0.22 0.00 0.00 0.00 0.00 60.65 60.44 2wka s ILE 182 Cb -0.16 -2.37 -0.06 0.00 0.01 0.00 0.00 42.46 39.88 2wka s ILE 182 CO 0.56 0.55 1.21 0.00 0.00 0.00 0.00 174.94 177.25 2wka s ALA 183 N -0.09 2.86 -1.35 9.38 0.00 -0.21 -4.89 121.76 127.46 2wka s ALA 183 Ca -0.01 1.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.81 2wka s ALA 183 Cb -0.14 -3.43 0.07 0.00 0.00 0.00 0.00 23.12 19.63 2wka s ALA 183 CO 0.03 -0.89 1.89 -0.35 0.00 0.00 0.00 175.76 176.45 2wka n PRO 184 N -0.83 3.11 -0.25 0.00 -0.04 -1.26 -4.78 135.00 130.96 2wka n PRO 184 Ca 0.09 -3.10 -0.07 0.00 -0.04 0.00 0.00 63.50 60.38 2wka n PRO 184 Cb 0.48 -3.38 0.04 0.00 -0.04 0.00 0.00 33.50 30.60 2wka n PRO 184 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2wka h LEU 185 N 11.37 0.98 -0.68 1.53 3.38 -1.96 -1.19 115.31 128.75 2wka h LEU 185 Ca 0.48 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 2wka h LEU 185 Cb 0.78 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2wka h LEU 185 CO 1.60 0.92 0.38 0.00 0.09 0.00 0.00 178.44 181.43 2wka h ALA 186 N 1.10 0.87 -0.27 1.53 0.00 -1.98 -0.28 119.26 120.23 2wka h ALA 186 Ca 0.22 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2wka h ALA 186 Cb 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2wka h ALA 186 CO -0.01 0.37 -0.45 1.49 0.00 0.00 0.00 179.25 180.65 2wka h GLU 187 N 0.93 0.70 -0.57 0.00 4.81 -1.90 -2.44 114.58 116.11 2wka h GLU 187 Ca 0.24 -0.39 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 2wka h GLU 187 Cb 0.02 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 2wka h GLU 187 CO -0.04 1.01 0.18 -0.07 -0.73 0.00 0.00 179.01 179.35 2wka h LEU 188 N 0.56 0.79 -0.18 1.64 3.38 -0.90 -1.26 115.31 119.34 2wka h LEU 188 Ca 0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2wka h LEU 188 Cb 1.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2wka h LEU 188 CO 0.09 0.75 0.11 0.58 0.09 0.00 0.00 178.44 180.06 2wka h VAL 189 N 0.83 1.09 -0.40 1.22 2.07 -0.84 -1.77 116.25 118.46 2wka h VAL 189 Ca 0.19 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.53 2wka h VAL 189 Cb 0.25 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2wka h VAL 189 CO -0.01 0.09 0.13 0.78 0.02 0.00 0.00 177.57 178.57 2wka h ASN 190 N 0.21 0.12 -0.93 0.57 2.35 -1.05 -1.20 115.58 115.65 2wka h ASN 190 Ca 0.07 0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.90 2wka h ASN 190 Cb 0.04 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.41 2wka h ASN 190 CO -0.01 0.10 0.60 0.40 -1.65 0.00 0.00 177.43 176.87 2wka h ILE 191 N 0.28 1.17 -0.31 2.81 2.04 -1.12 0.21 117.51 122.60 2wka h ILE 191 Ca 0.19 -0.41 -0.16 0.00 1.00 0.00 0.00 64.86 65.48 2wka h ILE 191 Cb 0.19 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.15 2wka h ILE 191 CO -0.21 0.22 -0.46 0.77 0.00 0.00 0.00 178.15 178.47 2wka h SER 192 N 1.18 0.88 -0.08 1.72 4.64 -0.69 -0.07 113.55 121.12 2wka h SER 192 Ca 0.36 -0.43 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2wka h SER 192 Cb -0.03 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 61.81 2wka h SER 192 CO -0.11 1.20 0.05 0.11 -0.87 0.00 0.00 176.83 177.21 2wka h LYS 193 N 0.65 0.11 -0.74 4.77 1.57 -0.87 0.47 116.57 122.53 2wka h LYS 193 Ca 0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2wka h LYS 193 Cb 1.04 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 2wka h LYS 193 CO 0.10 0.14 0.47 1.49 -0.57 0.00 0.00 179.45 181.08 2wka h GLU 194 N 0.05 0.99 -0.38 3.15 4.81 -0.34 -3.09 114.58 119.77 2wka h GLU 194 Ca 0.03 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2wka h GLU 194 Cb 0.06 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.22 2wka h GLU 194 CO -0.00 0.67 0.00 1.19 -0.73 0.00 0.00 179.01 180.14 2wka n PHE 195 N -4.41 0.50 -3.39 0.92 3.01 -0.06 -4.97 117.46 109.06 2wka n PHE 195 Ca 0.08 -0.39 -0.19 0.00 1.01 0.00 0.00 57.45 57.96 2wka n PHE 195 Cb 0.05 -0.01 0.07 0.00 -0.01 0.00 0.00 39.48 39.57 2wka n PHE 195 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wka n GLY 196 N 0.90 -0.29 3.89 1.37 0.00 -0.02 -4.54 105.19 106.51 2wka n GLY 196 Ca 0.15 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 2wka n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wka s ALA 198 N -2.16 3.82 -0.12 0.00 0.00 -0.71 -4.64 121.76 117.95 2wka s ALA 198 Ca 0.38 -0.55 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 2wka s ALA 198 Cb -0.08 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2wka s ALA 198 CO 0.27 0.65 -0.12 -1.17 0.00 0.00 0.00 175.76 175.39 2wka s LEU 199 N -2.04 2.77 -0.20 0.00 2.96 -1.26 -0.77 118.68 120.14 2wka s LEU 199 Ca 0.32 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2wka s LEU 199 Cb -0.13 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 44.96 2wka s LEU 199 CO 0.19 0.18 -0.17 -0.22 -1.32 0.00 0.00 176.35 175.02 2wka s LEU 200 N 0.24 2.39 -0.20 -0.68 0.20 0.15 -2.05 118.68 118.72 2wka s LEU 200 Ca -0.08 -0.70 -0.01 0.00 0.69 0.00 0.00 54.13 54.03 2wka s LEU 200 Cb -0.15 -1.53 0.01 0.00 -0.43 0.00 0.00 46.19 44.09 2wka s LEU 200 CO 0.05 -0.03 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.27 2wka s VAL 201 N 1.30 2.62 -0.54 1.68 1.01 -0.68 -1.88 120.40 123.91 2wka s VAL 201 Ca 0.04 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 60.99 2wka s VAL 201 Cb -0.14 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.11 2wka s VAL 201 CO -0.11 0.46 0.90 -0.62 0.00 0.00 0.00 175.10 175.73 2wka s ASP 202 N 1.36 6.33 -0.35 3.32 -1.08 -0.17 -1.27 116.67 124.82 2wka s ASP 202 Ca 0.05 -0.40 0.04 0.00 -0.52 0.00 0.00 52.55 51.72 2wka s ASP 202 Cb -0.14 -2.42 0.56 0.00 -1.46 0.00 0.00 42.92 39.46 2wka s ASP 202 CO -0.09 -1.17 1.72 -0.62 0.52 0.00 0.00 175.17 175.53 2wka n GLU 203 N 7.28 2.26 -0.31 4.34 1.02 0.39 -1.14 120.64 134.48 2wka n GLU 203 Ca 0.01 -2.46 0.15 0.00 -0.02 0.00 0.00 57.16 54.84 2wka n GLU 203 Cb 0.47 -1.98 0.40 0.00 -0.02 0.00 0.00 31.44 30.31 2wka n GLU 203 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2wka h SER 204 N 1.09 0.64 -0.40 1.62 0.02 -1.86 0.11 113.55 114.77 2wka h SER 204 Ca 0.46 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 2wka h SER 204 Cb 2.43 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.92 2wka h SER 204 CO 0.84 0.25 0.00 1.41 -1.14 0.00 0.00 176.83 178.19 2wka n HIS 205 N -4.64 0.52 0.00 3.45 8.25 -1.26 -4.33 115.22 117.20 2wka n HIS 205 Ca 0.21 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2wka n HIS 205 Cb 0.61 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 2wka n HIS 205 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2wka n SER 206 N 1.42 4.87 -4.68 0.41 3.41 -0.90 -4.86 113.62 113.30 2wka n SER 206 Ca 0.19 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.38 2wka n SER 206 Cb 0.59 0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 65.30 2wka n SER 206 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2wka s LEU 207 N -3.29 4.35 0.00 1.04 0.20 -0.02 -1.59 118.68 119.37 2wka s LEU 207 Ca 0.00 2.38 0.00 0.00 0.69 0.00 0.00 54.13 57.20 2wka s LEU 207 Cb 0.00 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.21 2wka s LEU 207 CO 0.00 -0.90 0.00 0.61 -0.29 0.00 0.00 176.35 175.77 2wka n GLY 208 N 4.06 2.89 0.04 7.98 0.00 0.21 -4.51 105.19 115.86 2wka n GLY 208 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 2wka n GLY 208 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wka n THR 209 N -0.06 0.31 -4.38 2.61 -2.24 -0.90 -4.61 114.28 105.01 2wka n THR 209 Ca 0.00 -0.55 -0.19 0.00 -2.27 0.00 0.00 64.05 61.04 2wka n THR 209 Cb 0.00 -0.15 -0.10 0.00 -2.10 0.00 0.00 70.33 67.98 2wka n THR 209 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2wka s HIS 210 N -3.37 1.80 0.05 4.78 3.76 -0.62 -4.89 115.29 116.79 2wka s HIS 210 Ca -0.06 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.22 2wka s HIS 210 Cb 0.12 -0.91 0.00 0.00 1.11 0.00 0.00 32.58 32.90 2wka s HIS 210 CO 0.87 0.32 0.00 0.41 -0.85 0.00 0.00 174.74 175.49 2wka n GLY 211 N -0.46 -1.74 3.66 -2.22 0.00 -1.24 -0.78 105.19 102.41 2wka n GLY 211 Ca -0.07 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 2wka n GLY 211 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wka s PRO 212 N -1.73 4.08 0.00 1.61 0.04 -1.26 -1.63 135.00 136.11 2wka s PRO 212 Ca 0.00 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2wka s PRO 212 Cb 0.00 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2wka s PRO 212 CO 0.00 -1.00 0.00 0.09 0.04 0.00 0.00 177.00 176.13 2wka n ASN 213 N 7.68 -4.05 0.00 6.66 3.02 -1.26 -1.41 115.26 125.90 2wka n ASN 213 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2wka n ASN 213 Cb 0.42 -2.59 0.00 0.00 -0.61 0.00 0.00 39.78 37.00 2wka n ASN 213 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wka n GLY 214 N -0.42 0.84 0.17 7.41 0.00 -0.64 -3.69 105.19 108.85 2wka n GLY 214 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.99 2wka n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wka n ALA 215 N -1.13 1.01 0.00 4.61 0.00 -0.50 -0.62 120.51 123.88 2wka n ALA 215 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2wka n ALA 215 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2wka n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wka n GLY 216 N -1.29 0.80 0.21 0.00 0.00 0.04 -4.59 105.19 100.36 2wka n GLY 216 Ca -0.01 -2.22 -0.13 0.00 0.00 0.00 0.00 46.02 43.65 2wka n GLY 216 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wka h LEU 217 N 0.00 0.73 -0.63 0.99 3.38 -1.79 -0.95 115.31 117.04 2wka h LEU 217 Ca 0.00 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.55 2wka h LEU 217 Cb 0.00 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 2wka h LEU 217 CO 0.00 1.06 0.33 -0.07 0.09 0.00 0.00 178.44 179.85 2wka h LEU 218 N 0.40 0.47 -0.44 1.67 3.38 -1.97 -1.02 115.31 117.80 2wka h LEU 218 Ca 0.04 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2wka h LEU 218 Cb 0.87 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2wka h LEU 218 CO 0.07 0.30 0.12 0.00 0.09 0.00 0.00 178.44 179.03 2wka h ALA 219 N 1.34 0.58 -0.81 1.53 0.00 -1.78 -0.25 119.26 119.87 2wka h ALA 219 Ca 0.29 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.14 2wka h ALA 219 Cb 0.21 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 2wka h ALA 219 CO -0.19 0.25 0.41 1.49 0.00 0.00 0.00 179.25 181.20 2wka h GLU 220 N 0.58 0.60 -0.01 0.00 4.81 -0.59 -2.61 114.58 117.34 2wka h GLU 220 Ca 0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2wka h GLU 220 Cb 0.29 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2wka h GLU 220 CO -0.00 0.40 -0.17 1.28 -0.73 0.00 0.00 179.01 179.78 2wka n LEU 221 N -4.87 1.06 -1.14 1.64 4.77 -0.44 -4.94 117.00 113.08 2wka n LEU 221 Ca 0.15 -0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 55.76 2wka n LEU 221 Cb 0.39 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2wka n LEU 221 CO 0.22 0.19 -0.06 0.61 -1.33 0.00 0.00 177.39 177.02 2wka n GLY 222 N 1.29 0.09 0.10 -0.72 0.00 -0.73 -4.95 105.19 100.26 2wka n GLY 222 Ca 0.14 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.75 2wka n GLY 222 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wka n LEU 223 N -1.46 0.90 -0.34 0.99 4.77 -0.18 -4.69 117.00 116.98 2wka n LEU 223 Ca -0.08 -0.58 0.07 0.00 -0.03 0.00 0.00 56.01 55.40 2wka n LEU 223 Cb 0.57 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.82 2wka n LEU 223 CO 0.15 0.20 0.66 0.41 -1.33 0.00 0.00 177.39 177.47 2wka n THR 224 N -0.98 -0.40 0.92 -5.08 -1.04 -1.23 -1.24 114.28 105.23 2wka n THR 224 Ca 0.04 2.16 0.10 0.00 -2.04 0.00 0.00 64.05 64.31 2wka n THR 224 Cb 0.24 -3.03 0.51 0.00 -1.82 0.00 0.00 70.33 66.23 2wka n THR 224 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2wka n ARG 225 N -5.52 0.22 -0.12 -2.82 5.12 -1.26 -2.49 116.66 109.77 2wka n ARG 225 Ca 0.17 0.10 0.09 0.00 -1.93 0.00 0.00 57.85 56.28 2wka n ARG 225 Cb 0.53 -1.50 0.15 0.00 -1.16 0.00 0.00 32.46 30.48 2wka n ARG 225 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2wka n GLU 226 N -1.35 1.66 -4.59 5.56 0.00 -0.37 -4.97 120.64 116.57 2wka n GLU 226 Ca 0.09 -2.55 -0.33 0.00 0.00 0.00 0.00 57.16 54.36 2wka n GLU 226 Cb 0.19 -1.52 -0.13 0.00 0.00 0.00 0.00 31.44 29.98 2wka n GLU 226 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2wka s VAL 227 N -2.74 3.54 0.09 3.84 1.01 -1.04 -4.91 120.40 120.20 2wka s VAL 227 Ca 0.32 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 2wka s VAL 227 Cb 0.27 -2.51 -0.17 0.00 0.00 0.00 0.00 36.38 33.98 2wka s VAL 227 CO 0.04 0.53 1.28 0.45 0.00 0.00 0.00 175.10 177.40 2wka h HIS 228 N 6.40 1.04 -3.73 5.22 3.86 -1.86 -3.41 115.15 122.67 2wka h HIS 228 Ca -0.33 -0.47 -0.21 0.00 -1.16 0.00 0.00 60.37 58.21 2wka h HIS 228 Cb 1.19 -0.16 -0.26 0.00 1.06 0.00 0.00 27.41 29.25 2wka h HIS 228 CO 0.53 1.30 -0.68 -0.06 0.86 0.00 0.00 177.93 179.87 2wka s PHE 229 N -3.70 0.04 -0.02 2.45 0.40 -0.87 -1.96 117.98 114.32 2wka s PHE 229 Ca -0.11 -0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 2wka s PHE 229 Cb 0.08 -0.04 0.00 0.00 0.51 0.00 0.00 43.02 43.58 2wka s PHE 229 CO 0.90 -0.07 -0.07 1.41 0.70 0.00 0.00 175.22 178.09 2wka s MET 230 N -0.38 0.72 0.27 0.44 1.75 -0.78 -1.69 119.30 119.63 2wka s MET 230 Ca -0.04 -0.23 0.07 0.00 -1.25 0.00 0.00 55.69 54.23 2wka s MET 230 Cb -0.03 -0.70 -0.06 0.00 2.84 0.00 0.00 34.83 36.88 2wka s MET 230 CO -0.00 0.09 -0.06 0.95 -0.65 0.00 0.00 175.02 175.35 2wka s THR 231 N 0.17 1.62 -0.27 10.11 -4.23 -0.39 0.27 115.64 122.92 2wka s THR 231 Ca -0.02 -2.13 -0.25 0.00 -1.18 0.00 0.00 61.69 58.12 2wka s THR 231 Cb -0.07 -2.43 0.07 0.00 1.34 0.00 0.00 72.50 71.42 2wka s THR 231 CO 0.00 -0.31 0.74 0.00 -0.54 0.00 0.00 174.62 174.51 2wka s ALA 232 N -3.03 -1.80 0.32 3.99 0.00 -0.85 -0.46 121.76 119.93 2wka s ALA 232 Ca 0.29 2.03 -0.29 0.00 0.00 0.00 0.00 51.96 54.00 2wka s ALA 232 Cb 0.04 -1.21 -0.10 0.00 0.00 0.00 0.00 23.12 21.84 2wka s ALA 232 CO 0.12 -0.33 1.32 0.45 0.00 0.00 0.00 175.76 177.31 2wka s SER 233 N 0.42 6.77 -0.01 0.00 0.15 -1.26 -1.32 113.70 118.45 2wka s SER 233 Ca -0.00 2.67 0.16 0.00 0.70 0.00 0.00 55.95 59.48 2wka s SER 233 Cb -0.05 -2.64 0.48 0.00 -1.71 0.00 0.00 66.02 62.10 2wka s SER 233 CO -0.00 -0.55 1.40 0.18 1.20 0.00 0.00 173.24 175.46 2wka n LEU 234 N 1.06 2.95 -1.30 3.45 4.77 0.53 -4.30 117.00 124.16 2wka n LEU 234 Ca 0.01 -1.47 0.07 0.00 -0.03 0.00 0.00 56.01 54.59 2wka n LEU 234 Cb 0.42 -0.37 0.28 0.00 -2.33 0.00 0.00 43.42 41.41 2wka n LEU 234 CO 0.59 0.72 0.71 0.00 -1.33 0.00 0.00 177.39 178.08 2wka n ALA 235 N 1.06 3.01 -2.00 -1.18 0.00 -0.49 -0.50 120.51 120.42 2wka n ALA 235 Ca 0.18 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2wka n ALA 235 Cb 0.47 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2wka n ALA 235 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wka n LYS 236 N 0.78 0.00 0.00 0.00 4.76 -1.26 -4.58 118.16 117.86 2wka n LYS 236 Ca 0.20 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.76 2wka n LYS 236 Cb 0.73 0.00 0.55 0.00 -1.84 0.00 0.00 35.03 34.47 2wka n LYS 236 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2wka h THR 237 N 0.00 0.91 -0.00 -0.18 2.02 -1.79 -0.53 112.91 113.34 2wka h THR 237 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2wka h THR 237 Cb 0.00 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2wka h THR 237 CO 0.00 0.05 -0.05 0.49 0.37 0.00 0.00 175.52 176.38 2wka n PHE 238 N -4.46 0.00 -4.14 3.16 3.01 -1.24 -4.72 117.46 109.06 2wka n PHE 238 Ca 0.07 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.21 2wka n PHE 238 Cb 0.33 -0.21 -0.03 0.00 -0.01 0.00 0.00 39.48 39.56 2wka n PHE 238 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wka n ALA 239 N -1.11 -1.57 -3.01 4.37 0.00 -0.21 -4.87 120.51 114.11 2wka n ALA 239 Ca 0.15 -0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 2wka n ALA 239 Cb 0.24 -2.60 -0.12 0.00 0.00 0.00 0.00 19.45 16.97 2wka n ALA 239 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2wka s TYR 240 N -3.60 0.03 -1.15 0.00 5.04 0.34 -4.94 117.35 113.08 2wka s TYR 240 Ca 0.43 -0.06 -0.19 0.00 -2.44 0.00 0.00 57.07 54.82 2wka s TYR 240 Cb -0.24 -0.05 0.09 0.00 0.35 0.00 0.00 41.96 42.12 2wka s TYR 240 CO 0.92 -0.16 1.51 0.50 -1.34 0.00 0.00 175.55 176.98 2wka s ARG 241 N -0.76 3.84 0.23 4.97 3.52 -1.26 -1.40 118.95 128.09 2wka s ARG 241 Ca -0.08 -1.84 -0.20 0.00 -0.13 0.00 0.00 55.73 53.47 2wka s ARG 241 Cb -0.05 -5.30 0.07 0.00 -1.56 0.00 0.00 34.95 28.11 2wka s ARG 241 CO 0.00 -2.08 1.00 0.00 -0.81 0.00 0.00 175.30 173.41 2wka s ALA 242 N 3.68 -1.42 0.35 6.12 0.00 -1.24 -4.71 121.76 124.55 2wka s ALA 242 Ca 0.46 -0.48 -0.07 0.00 0.00 0.00 0.00 51.96 51.88 2wka s ALA 242 Cb 0.00 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.90 2wka s ALA 242 CO -0.01 -1.05 0.56 0.20 0.00 0.00 0.00 175.76 175.46 2wka s GLY 243 N -3.40 1.13 -0.06 0.00 0.00 -0.50 -0.34 107.32 104.16 2wka s GLY 243 Ca 0.22 -1.27 -0.18 0.00 0.00 0.00 0.00 44.72 43.49 2wka s GLY 243 CO 0.07 -0.79 0.40 0.00 0.00 0.00 0.00 173.10 172.78 2wka s ALA 244 N -2.92 -1.01 -0.15 3.20 0.00 -0.43 -0.51 121.76 119.93 2wka s ALA 244 Ca 0.26 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2wka s ALA 244 Cb -0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 2wka s ALA 244 CO 0.17 -0.26 -0.15 0.42 0.00 0.00 0.00 175.76 175.94 2wka s ILE 245 N -0.93 2.68 -0.05 0.00 1.01 -0.33 -2.00 121.20 121.57 2wka s ILE 245 Ca -0.10 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.79 2wka s ILE 245 Cb -0.04 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 2wka s ILE 245 CO 0.04 0.51 -0.05 0.26 0.00 0.00 0.00 174.94 175.71 2wka s TRP 246 N 0.80 2.97 -0.02 3.97 0.51 0.14 -0.90 118.94 126.42 2wka s TRP 246 Ca -0.05 0.04 0.02 0.00 -2.12 0.00 0.00 56.10 53.99 2wka s TRP 246 Cb -0.15 -1.70 0.00 0.00 -0.81 0.00 0.00 33.47 30.81 2wka s TRP 246 CO 0.00 0.37 -0.07 0.00 -0.51 0.00 0.00 176.95 176.74 2wka n ASN 248 N 3.25 7.39 0.00 0.00 3.02 -0.83 -1.53 115.26 126.56 2wka n ASN 248 Ca -0.17 -3.66 0.00 0.00 -0.03 0.00 0.00 54.58 50.72 2wka n ASN 248 Cb 0.55 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 2wka n ASN 248 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2wka n ASN 249 N -0.04 0.00 -0.75 6.41 0.23 -1.26 -4.95 115.26 114.89 2wka n ASN 249 Ca 0.52 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.68 2wka n ASN 249 Cb 0.28 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.30 2wka n ASN 249 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2wka n GLU 250 N -0.00 1.99 -0.33 -3.83 1.02 -1.26 -4.51 120.64 113.72 2wka n GLU 250 Ca 0.00 -1.49 0.08 0.00 -0.02 0.00 0.00 57.16 55.73 2wka n GLU 250 Cb 0.00 -1.44 0.28 0.00 -0.02 0.00 0.00 31.44 30.26 2wka n GLU 250 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wka h VAL 251 N 3.06 0.90 0.00 2.62 2.07 -1.96 -0.56 116.25 122.38 2wka h VAL 251 Ca 0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2wka h VAL 251 Cb 0.67 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2wka h VAL 251 CO 0.00 0.17 0.00 0.78 0.02 0.00 0.00 177.57 178.54 2wka h ASN 252 N 0.91 0.00 0.22 0.57 2.35 -1.96 0.68 115.58 118.35 2wka h ASN 252 Ca 0.48 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.19 2wka h ASN 252 Cb 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 2wka h ASN 252 CO -0.24 0.00 -0.19 0.03 -1.65 0.00 0.00 177.43 175.38 2wka h ARG 253 N 0.00 0.00 0.00 0.81 2.47 -1.44 -3.31 114.38 112.91 2wka h ARG 253 Ca 0.00 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.47 2wka h ARG 253 Cb 0.21 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.48 2wka h ARG 253 CO 0.00 0.19 -2.07 0.00 0.56 0.00 0.00 179.97 178.65 2wka h VAL 255 N 0.00 0.57 0.00 0.00 2.07 -1.48 -1.67 116.25 115.73 2wka h VAL 255 Ca -0.38 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2wka h VAL 255 Cb 1.83 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2wka h VAL 255 CO 0.02 0.07 0.03 -0.65 0.02 0.00 0.00 177.57 177.06 2wka h PRO 256 N 0.37 0.00 -0.17 1.57 0.11 -1.80 -0.76 132.00 131.32 2wka h PRO 256 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 2wka h PRO 256 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2wka h PRO 256 CO -0.47 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.51 2wka n PHE 257 N -3.04 0.21 0.00 0.65 3.72 -0.64 -4.29 117.46 114.07 2wka n PHE 257 Ca -0.03 -0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 2wka n PHE 257 Cb 0.10 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 2wka n PHE 257 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2wka n ILE 258 N 0.55 0.00 -1.92 4.37 5.41 -0.42 -5.02 119.36 122.34 2wka n ILE 258 Ca 0.09 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.42 2wka n ILE 258 Cb 0.34 -0.79 -0.03 0.00 -0.71 0.00 0.00 39.64 38.46 2wka n ILE 258 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2wka s SER 259 N -4.31 6.58 0.15 4.38 0.15 -0.46 -4.91 113.70 115.29 2wka s SER 259 Ca 0.00 2.57 -0.15 0.00 0.70 0.00 0.00 55.95 59.07 2wka s SER 259 Cb 0.00 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 61.76 2wka s SER 259 CO 0.00 -0.86 1.75 1.88 1.20 0.00 0.00 173.24 177.21 2wka h TYR 260 N 7.57 0.67 -0.77 3.44 -1.99 -1.92 -0.69 116.97 123.28 2wka h TYR 260 Ca -0.43 -0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.29 2wka h TYR 260 Cb 1.20 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 39.68 2wka h TYR 260 CO 0.71 0.51 0.51 -1.35 -0.00 0.00 0.00 178.16 178.54 2wka h PRO 261 N 0.63 1.00 -0.47 4.88 0.11 -1.92 0.25 132.00 136.47 2wka h PRO 261 Ca 0.17 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.11 2wka h PRO 261 Cb 0.08 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 2wka h PRO 261 CO -0.02 0.66 -0.12 0.00 -0.21 0.00 0.00 178.00 178.30 2wka h ALA 262 N 1.53 0.90 0.06 -0.75 0.00 -1.76 -3.04 119.26 116.19 2wka h ALA 262 Ca 0.28 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2wka h ALA 262 Cb -0.10 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2wka h ALA 262 CO -0.07 0.63 -0.65 0.82 0.00 0.00 0.00 179.25 179.99 2wka h ILE 263 N 0.78 1.46 -0.42 0.00 2.04 -0.78 -3.30 117.51 117.29 2wka h ILE 263 Ca 0.12 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.60 2wka h ILE 263 Cb 0.64 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 2wka h ILE 263 CO 0.04 0.61 0.00 0.49 0.00 0.00 0.00 178.15 179.30 2wka n PHE 264 N -4.33 0.55 -4.53 1.37 3.72 0.86 -4.64 117.46 110.46 2wka n PHE 264 Ca -0.17 -0.34 -0.21 0.00 -0.05 0.00 0.00 57.45 56.69 2wka n PHE 264 Cb 0.68 -0.01 -0.15 0.00 -0.94 0.00 0.00 39.48 39.06 2wka n PHE 264 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2wka s SER 265 N -1.21 1.45 0.57 4.37 0.15 -1.15 -5.00 113.70 112.89 2wka s SER 265 Ca 0.35 -0.24 -0.21 0.00 0.70 0.00 0.00 55.95 56.55 2wka s SER 265 Cb 0.20 -0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 2wka s SER 265 CO 0.27 0.14 1.33 -0.94 1.20 0.00 0.00 173.24 175.24 2wka s SER 266 N -0.36 5.10 0.76 5.45 1.04 -1.26 -4.54 113.70 119.89 2wka s SER 266 Ca 0.04 2.69 -0.11 0.00 0.48 0.00 0.00 55.95 59.06 2wka s SER 266 Cb -0.05 -2.63 0.05 0.00 0.10 0.00 0.00 66.02 63.49 2wka s SER 266 CO -0.00 -1.68 1.08 0.28 0.98 0.00 0.00 173.24 173.90 2wka s THR 267 N -1.35 3.50 0.47 2.02 -1.32 -0.76 -4.92 115.64 113.28 2wka s THR 267 Ca 0.75 0.49 -0.25 0.00 -1.21 0.00 0.00 61.69 61.47 2wka s THR 267 Cb -0.39 -3.05 -0.08 0.00 -1.51 0.00 0.00 72.50 67.48 2wka s THR 267 CO 0.44 -0.64 1.43 0.18 -2.21 0.00 0.00 174.62 173.83 2wka n LEU 268 N -3.42 5.26 -4.80 9.08 4.77 -1.26 -4.91 117.00 121.71 2wka n LEU 268 Ca 0.08 1.09 -0.32 0.00 -0.03 0.00 0.00 56.01 56.84 2wka n LEU 268 Cb 0.53 -1.60 0.03 0.00 -2.33 0.00 0.00 43.42 40.05 2wka n LEU 268 CO 0.54 -0.22 0.72 -0.76 -1.33 0.00 0.00 177.39 176.34 2wka s LEU 269 N -2.87 3.38 0.52 2.23 1.02 -1.26 -4.97 118.68 116.74 2wka s LEU 269 Ca 0.63 1.79 0.24 0.00 0.02 0.00 0.00 54.13 56.82 2wka s LEU 269 Cb -0.44 -4.53 1.44 0.00 0.02 0.00 0.00 46.19 42.68 2wka s LEU 269 CO 0.56 -1.32 2.11 -0.65 0.02 0.00 0.00 176.35 177.07 2wka h PRO 270 N 0.07 0.00 0.00 1.29 0.11 -2.01 -2.65 132.00 128.81 2wka h PRO 270 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2wka h PRO 270 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wka h PRO 270 CO 0.57 0.10 -0.06 0.10 -0.21 0.00 0.00 178.00 178.50 2wka h TYR 271 N 0.00 0.00 -0.63 0.65 -0.00 -1.93 -3.21 116.97 111.85 2wka h TYR 271 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.65 2wka h TYR 271 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.93 2wka h TYR 271 CO 0.00 0.06 0.10 0.93 -0.00 0.00 0.00 178.16 179.25 2wka h GLU 272 N 0.00 1.04 -0.16 0.10 5.08 -1.86 -2.91 114.58 115.87 2wka h GLU 272 Ca -0.00 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2wka h GLU 272 Cb 0.86 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2wka h GLU 272 CO 0.01 0.95 0.06 0.00 -1.00 0.00 0.00 179.01 179.04 2wka h ALA 273 N 1.13 1.82 -0.22 3.43 0.00 -1.70 -2.32 119.26 121.40 2wka h ALA 273 Ca 0.19 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2wka h ALA 273 Cb 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2wka h ALA 273 CO 0.01 0.15 -0.39 0.00 0.00 0.00 0.00 179.25 179.02 2wka h ALA 274 N 1.86 0.92 -0.39 0.00 0.00 -1.66 -2.49 119.26 117.50 2wka h ALA 274 Ca 0.06 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2wka h ALA 274 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2wka h ALA 274 CO -0.01 0.63 -0.03 0.78 0.00 0.00 0.00 179.25 180.62 2wka h GLY 275 N 1.09 0.70 1.07 0.00 0.00 -1.43 -2.67 103.07 101.83 2wka h GLY 275 Ca 0.04 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 2wka h GLY 275 CO 0.07 0.42 0.25 1.41 0.00 0.00 0.00 176.54 178.70 2wka h LEU 276 N 0.61 1.09 -0.63 3.11 4.07 -1.27 -1.70 115.31 120.58 2wka h LEU 276 Ca 0.12 -0.20 0.02 0.00 0.08 0.00 0.00 57.88 57.91 2wka h LEU 276 Cb 0.43 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.85 2wka h LEU 276 CO 0.02 1.00 0.39 -0.33 -1.08 0.00 0.00 178.44 178.44 2wka h GLU 277 N 1.12 0.76 -0.33 1.13 5.08 -1.11 0.15 114.58 121.37 2wka h GLU 277 Ca 0.25 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 2wka h GLU 277 Cb 0.29 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2wka h GLU 277 CO -0.01 0.50 -0.34 1.15 -1.00 0.00 0.00 179.01 179.31 2wka h THR 278 N 0.78 1.29 -0.41 1.13 2.02 -1.37 -2.57 112.91 113.78 2wka h THR 278 Ca 0.25 -1.51 0.06 0.00 0.77 0.00 0.00 66.41 65.98 2wka h THR 278 Cb 0.00 1.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 2wka h THR 278 CO -0.09 0.49 0.11 0.74 0.37 0.00 0.00 175.52 177.14 2wka h THR 279 N 0.60 0.83 -0.76 3.16 2.02 -0.88 -1.12 112.91 116.76 2wka h THR 279 Ca 0.05 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.19 2wka h THR 279 Cb 0.92 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 2wka h THR 279 CO 0.08 0.05 0.47 0.25 0.37 0.00 0.00 175.52 176.74 2wka h LEU 280 N 0.26 0.75 -0.60 2.58 5.85 -0.62 -0.44 115.31 123.08 2wka h LEU 280 Ca 0.19 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 2wka h LEU 280 Cb 0.21 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2wka h LEU 280 CO -0.23 0.51 0.28 -0.33 -0.34 0.00 0.00 178.44 178.33 2wka h GLU 281 N 0.89 0.86 -0.65 1.25 5.08 -0.94 0.58 114.58 121.66 2wka h GLU 281 Ca 0.31 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 2wka h GLU 281 Cb 0.08 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2wka h GLU 281 CO -0.14 0.70 0.25 0.82 -1.00 0.00 0.00 179.01 179.64 2wka h ILE 282 N 0.82 1.24 -0.38 3.13 2.04 -0.68 -2.87 117.51 120.81 2wka h ILE 282 Ca 0.20 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 2wka h ILE 282 Cb 0.13 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2wka h ILE 282 CO -0.02 0.30 0.09 0.40 0.00 0.00 0.00 178.15 178.92 2wka h ILE 283 N 0.92 1.22 -0.84 -0.67 2.04 -0.61 -2.26 117.51 117.31 2wka h ILE 283 Ca 0.21 -0.76 0.17 0.00 1.00 0.00 0.00 64.86 65.48 2wka h ILE 283 Cb 0.23 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 2wka h ILE 283 CO -0.02 0.26 0.55 -0.33 0.00 0.00 0.00 178.15 178.62 2wka h GLU 284 N 0.46 0.47 -0.23 2.37 5.08 -0.78 -2.00 114.58 119.94 2wka h GLU 284 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2wka h GLU 284 Cb 0.30 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2wka h GLU 284 CO 0.00 0.31 0.00 0.43 -1.00 0.00 0.00 179.01 178.75 2wka n SER 285 N -4.51 2.71 -2.34 1.42 7.64 -0.94 -4.59 113.62 113.01 2wka n SER 285 Ca 0.17 -1.88 -0.25 0.00 1.01 0.00 0.00 58.87 57.92 2wka n SER 285 Cb 0.57 -0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.60 2wka n SER 285 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wka n ALA 286 N 1.03 6.10 -0.34 -0.43 0.00 -0.75 -4.54 120.51 121.57 2wka n ALA 286 Ca 0.17 -2.75 -0.00 0.00 0.00 0.00 0.00 53.44 50.87 2wka n ALA 286 Cb 0.51 -1.92 0.16 0.00 0.00 0.00 0.00 19.45 18.19 2wka n ALA 286 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2wka h ASP 287 N 2.54 1.07 0.05 0.00 5.19 -1.82 -1.61 116.42 121.84 2wka h ASP 287 Ca 0.38 -0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.80 2wka h ASP 287 Cb 0.75 -0.25 -0.05 0.00 0.18 0.00 0.00 39.33 39.95 2wka h ASP 287 CO 0.91 0.75 -0.37 -0.55 -3.12 0.00 0.00 179.24 176.85 2wka h ASN 288 N 1.25 -1.11 -0.12 6.45 7.08 -2.00 -1.26 115.58 125.87 2wka h ASN 288 Ca 0.37 0.13 -0.11 0.00 -3.08 0.00 0.00 56.30 53.61 2wka h ASN 288 Cb -0.06 0.43 -0.01 0.00 -2.08 0.00 0.00 38.32 36.60 2wka h ASN 288 CO -0.10 -0.44 -0.28 0.03 -2.08 0.00 0.00 177.43 174.56 2wka h ARG 289 N -0.56 0.58 -0.22 4.14 3.08 -1.83 -1.57 114.38 118.00 2wka h ARG 289 Ca 0.04 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 2wka h ARG 289 Cb 0.62 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 2wka h ARG 289 CO -0.26 0.81 0.12 0.00 -1.07 0.00 0.00 179.97 179.57 2wka h ARG 290 N 0.51 0.31 0.06 0.04 3.08 -1.13 -1.32 114.38 115.93 2wka h ARG 290 Ca 0.07 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.10 2wka h ARG 290 Cb 0.75 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 2wka h ARG 290 CO 0.06 0.29 -0.18 0.37 -1.07 0.00 0.00 179.97 179.43 2wka h GLN 291 N 0.25 -0.32 -0.75 0.04 4.15 -0.95 -0.44 115.11 117.09 2wka h GLN 291 Ca 0.08 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.54 2wka h GLN 291 Cb 0.07 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 2wka h GLN 291 CO -0.01 -0.21 0.48 1.25 -1.93 0.00 0.00 178.83 178.41 2wka h HIS 292 N -0.33 0.91 -0.36 3.99 2.76 -1.24 -1.34 115.15 119.54 2wka h HIS 292 Ca 0.04 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 2wka h HIS 292 Cb 0.37 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 2wka h HIS 292 CO -0.20 0.54 0.13 1.25 -1.30 0.00 0.00 177.93 178.35 2wka h LEU 293 N 0.96 0.51 -0.90 0.26 5.85 -1.01 -0.92 115.31 120.05 2wka h LEU 293 Ca 0.29 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.88 2wka h LEU 293 Cb -0.02 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 2wka h LEU 293 CO -0.10 0.55 0.57 -0.78 -0.34 0.00 0.00 178.44 178.35 2wka h ASP 294 N 0.43 0.93 -0.16 1.25 3.58 -0.77 -0.45 116.42 121.23 2wka h ASP 294 Ca 0.12 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 2wka h ASP 294 Cb 0.21 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2wka h ASP 294 CO -0.01 0.62 -0.01 -0.09 -2.88 0.00 0.00 179.24 176.87 2wka h ARG 295 N 1.08 0.29 -0.69 0.28 2.43 -0.90 -2.12 114.38 114.75 2wka h ARG 295 Ca 0.37 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 2wka h ARG 295 Cb 0.08 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2wka h ARG 295 CO -0.14 0.52 0.32 0.52 -1.51 0.00 0.00 179.97 179.68 2wka h MET 296 N 0.02 1.00 -0.51 0.20 2.86 -0.88 -1.40 114.93 116.22 2wka h MET 296 Ca 0.04 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2wka h MET 296 Cb 0.40 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2wka h MET 296 CO 0.01 0.80 0.21 0.00 1.06 0.00 0.00 176.91 178.98 2wka h ALA 297 N 1.15 0.66 -0.55 6.32 0.00 -1.03 -0.87 119.26 124.94 2wka h ALA 297 Ca 0.23 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2wka h ALA 297 Cb 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2wka h ALA 297 CO -0.03 0.26 0.23 -0.09 0.00 0.00 0.00 179.25 179.62 2wka h ARG 298 N 0.68 0.82 -0.70 0.00 2.43 -1.20 -0.86 114.38 115.54 2wka h ARG 298 Ca 0.17 -0.14 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 2wka h ARG 298 Cb 0.19 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.53 2wka h ARG 298 CO -0.01 0.71 0.36 -0.22 -1.51 0.00 0.00 179.97 179.29 2wka h LYS 299 N 0.75 0.60 -0.21 0.20 3.64 -0.96 -2.14 116.57 118.45 2wka h LYS 299 Ca 0.18 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2wka h LYS 299 Cb 0.19 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2wka h LYS 299 CO -0.02 0.40 -0.04 1.25 -2.27 0.00 0.00 179.45 178.77 2wka h LEU 300 N 0.62 0.39 -0.63 5.20 6.46 -0.82 -2.04 115.31 124.49 2wka h LEU 300 Ca 0.34 -0.36 0.04 0.00 -0.12 0.00 0.00 57.88 57.79 2wka h LEU 300 Cb 0.33 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.11 2wka h LEU 300 CO -0.25 0.66 0.37 0.03 -0.62 0.00 0.00 178.44 178.62 2wka h ARG 301 N 0.12 0.68 -0.24 1.25 3.08 -0.81 -0.61 114.38 117.85 2wka h ARG 301 Ca 0.05 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 2wka h ARG 301 Cb 0.48 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2wka h ARG 301 CO 0.02 0.45 -0.01 0.82 -1.07 0.00 0.00 179.97 180.18 2wka h ILE 302 N 0.70 1.26 -0.81 2.04 2.04 -1.40 0.44 117.51 121.78 2wka h ILE 302 Ca 0.27 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.22 2wka h ILE 302 Cb 0.11 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 2wka h ILE 302 CO -0.14 0.29 0.53 1.23 0.00 0.00 0.00 178.15 180.06 2wka h GLY 303 N 0.19 1.16 0.72 5.37 0.00 -1.04 -2.62 103.07 106.85 2wka h GLY 303 Ca 0.07 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 2wka h GLY 303 CO 0.01 0.39 -0.62 1.41 0.00 0.00 0.00 176.54 177.73 2wka h LEU 304 N 1.07 0.48 -0.85 3.11 3.38 -1.04 -3.30 115.31 118.16 2wka h LEU 304 Ca 0.31 -0.81 0.16 0.00 0.09 0.00 0.00 57.88 57.63 2wka h LEU 304 Cb -0.07 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.43 2wka h LEU 304 CO -0.08 1.24 0.42 0.28 0.09 0.00 0.00 178.44 180.39 2wka h SER 305 N -0.22 0.47 0.85 -0.43 0.02 -0.87 -1.43 113.55 111.95 2wka h SER 305 Ca -0.09 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2wka h SER 305 Cb 1.37 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2wka h SER 305 CO 0.12 0.17 0.00 0.06 -1.14 0.00 0.00 176.83 176.04 2wka h GLN 306 N 0.56 0.00 0.00 3.45 3.07 -1.54 -0.55 115.11 120.10 2wka h GLN 306 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.22 2wka h GLN 306 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.30 2wka h GLN 306 CO -0.40 0.00 0.00 1.28 0.09 0.00 0.00 178.83 179.80 2wka n LEU 307 N -2.40 0.00 0.00 0.06 4.32 -0.54 -4.91 117.00 113.53 2wka n LEU 307 Ca 0.02 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 2wka n LEU 307 Cb 0.26 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 2wka n LEU 307 CO 0.22 -0.03 0.00 0.61 -1.22 0.00 0.00 177.39 176.97 2wka n GLY 308 N 1.12 0.69 3.77 -0.72 0.00 -0.22 -5.05 105.19 104.78 2wka n GLY 308 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2wka n GLY 308 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wka s LEU 309 N 0.00 4.35 -0.10 0.99 1.02 -1.25 -4.97 118.68 118.72 2wka s LEU 309 Ca 0.00 2.17 -0.29 0.00 0.02 0.00 0.00 54.13 56.03 2wka s LEU 309 Cb 0.00 -3.90 -0.04 0.00 0.02 0.00 0.00 46.19 42.27 2wka s LEU 309 CO 0.00 -0.33 1.54 -0.89 0.02 0.00 0.00 176.35 176.69 2wka s THR 310 N -1.39 3.80 -0.41 5.49 2.01 -0.34 -4.49 115.64 120.31 2wka s THR 310 Ca 0.51 0.96 0.04 0.00 0.31 0.00 0.00 61.69 63.51 2wka s THR 310 Cb -0.28 -3.64 0.11 0.00 0.01 0.00 0.00 72.50 68.71 2wka s THR 310 CO 0.35 -0.11 0.14 -0.63 -0.69 0.00 0.00 174.62 173.69 2wka s ILE 311 N 3.99 2.23 -0.16 1.82 -1.09 -1.26 -4.54 121.20 122.18 2wka s ILE 311 Ca 0.68 -2.66 0.26 0.00 -2.23 0.00 0.00 60.65 56.70 2wka s ILE 311 Cb -0.29 -2.60 0.32 0.00 -1.58 0.00 0.00 42.46 38.30 2wka s ILE 311 CO 0.25 -0.70 1.74 0.03 -1.23 0.00 0.00 174.94 175.03 2wka h ARG 312 N 7.17 0.00 -6.68 2.79 3.08 -1.84 -3.47 114.38 115.43 2wka h ARG 312 Ca -0.06 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.41 2wka h ARG 312 Cb 0.96 0.00 0.12 0.00 0.08 0.00 0.00 29.97 31.14 2wka h ARG 312 CO 0.58 0.08 0.27 0.45 -1.07 0.00 0.00 179.97 180.28 2wka n SER 313 N -3.15 1.73 -0.81 7.04 2.88 -1.16 -4.56 113.62 115.59 2wka n SER 313 Ca 0.02 1.09 0.06 0.00 -1.33 0.00 0.00 58.87 58.70 2wka n SER 313 Cb 0.46 -1.39 0.16 0.00 -0.75 0.00 0.00 64.21 62.69 2wka n SER 313 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2wka n GLU 314 N 0.23 1.14 -0.68 -1.46 1.02 -0.68 -4.93 120.64 115.29 2wka n GLU 314 Ca 0.08 -2.91 0.00 0.00 -0.02 0.00 0.00 57.16 54.32 2wka n GLU 314 Cb 0.38 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 2wka n GLU 314 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2wka n SER 315 N -0.70 0.00 0.00 1.62 3.41 -1.22 -4.94 113.62 111.79 2wka n SER 315 Ca 0.15 -0.49 0.15 0.00 -0.26 0.00 0.00 58.87 58.42 2wka n SER 315 Cb 0.81 0.00 0.76 0.00 -0.26 0.00 0.00 64.21 65.51 2wka n SER 315 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wka n GLN 316 N 0.00 0.44 -3.62 4.33 0.00 -1.26 -4.65 117.38 112.62 2wka n GLN 316 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.00 56.63 2wka n GLN 316 Cb 0.00 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 28.63 2wka n GLN 316 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2wka s ILE 317 N -2.55 5.22 -0.15 -0.39 1.01 -1.26 -1.39 121.20 121.69 2wka s ILE 317 Ca 0.29 0.14 0.01 0.00 0.00 0.00 0.00 60.65 61.09 2wka s ILE 317 Cb 0.20 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 39.21 2wka s ILE 317 CO 0.45 0.27 -0.18 -0.63 0.00 0.00 0.00 174.94 174.85 2wka s ILE 318 N 1.66 1.82 -0.27 2.92 1.09 0.54 -3.92 121.20 125.04 2wka s ILE 318 Ca 0.07 -0.81 -0.09 0.00 -1.10 0.00 0.00 60.65 58.72 2wka s ILE 318 Cb -0.16 -1.65 -0.03 0.00 -1.06 0.00 0.00 42.46 39.56 2wka s ILE 318 CO 0.10 0.50 0.12 -0.83 -0.10 0.00 0.00 174.94 174.73 2wka s GLY 319 N 1.15 1.83 -0.24 6.18 0.00 -1.26 0.95 107.32 115.93 2wka s GLY 319 Ca -0.01 -1.18 -0.21 0.00 0.00 0.00 0.00 44.72 43.33 2wka s GLY 319 CO -0.07 0.60 0.65 1.08 0.00 0.00 0.00 173.10 175.36 2wka s LEU 320 N 1.65 4.07 -0.38 0.66 1.43 -0.41 -4.71 118.68 120.99 2wka s LEU 320 Ca 0.06 0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 53.71 2wka s LEU 320 Cb -0.16 -2.89 0.01 0.00 0.03 0.00 0.00 46.19 43.18 2wka s LEU 320 CO 0.06 -0.37 0.67 -1.61 0.23 0.00 0.00 176.35 175.33 2wka s GLU 321 N 2.45 3.61 -0.10 1.70 2.02 -1.26 -0.76 118.70 126.36 2wka s GLU 321 Ca 0.27 0.02 0.13 0.00 0.02 0.00 0.00 54.97 55.41 2wka s GLU 321 Cb -0.16 -3.84 0.27 0.00 0.10 0.00 0.00 34.13 30.51 2wka s GLU 321 CO 0.09 -0.83 1.18 0.25 0.02 0.00 0.00 175.26 175.97 2wka n THR 322 N 5.70 1.69 -0.75 3.63 -2.24 -0.57 0.05 114.28 121.79 2wka n THR 322 Ca -0.00 -1.79 0.00 0.00 -2.27 0.00 0.00 64.05 59.98 2wka n THR 322 Cb 0.48 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 2wka n THR 322 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wka n GLY 323 N -0.87 3.32 3.79 3.38 0.00 -1.23 -3.70 105.19 109.88 2wka n GLY 323 Ca 0.13 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2wka n GLY 323 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wka s ASP 324 N -4.00 3.60 0.18 1.61 1.47 -1.19 -0.87 116.67 117.46 2wka s ASP 324 Ca 0.00 0.98 -0.13 0.00 1.18 0.00 0.00 52.55 54.58 2wka s ASP 324 Cb 0.00 -1.56 0.08 0.00 -0.34 0.00 0.00 42.92 41.09 2wka s ASP 324 CO 0.00 -2.49 1.81 -0.33 0.68 0.00 0.00 175.17 174.84 2wka h GLU 325 N -1.46 0.76 -0.40 2.11 5.08 -1.88 -1.22 114.58 117.57 2wka h GLU 325 Ca -0.50 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 57.81 2wka h GLU 325 Cb 1.33 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 2wka h GLU 325 CO 0.62 0.55 0.24 0.00 -1.00 0.00 0.00 179.01 179.42 2wka h ARG 326 N 0.76 0.48 -0.72 2.33 2.47 -1.94 -0.67 114.38 117.09 2wka h ARG 326 Ca 0.20 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.89 2wka h ARG 326 Cb -0.02 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.15 2wka h ARG 326 CO -0.04 0.32 0.43 -0.97 0.56 0.00 0.00 179.97 180.27 2wka h ASN 327 N 0.49 0.86 -0.84 7.04 -1.24 -1.78 -2.85 115.58 117.27 2wka h ASN 327 Ca 0.16 -0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.07 2wka h ASN 327 Cb -0.01 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 38.78 2wka h ASN 327 CO -0.06 0.67 0.41 0.74 -1.29 0.00 0.00 177.43 177.90 2wka h THR 328 N 0.98 1.26 -0.60 -3.57 2.02 -0.74 -0.92 112.91 111.33 2wka h THR 328 Ca 0.26 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 2wka h THR 328 Cb -0.03 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 2wka h THR 328 CO -0.05 0.30 0.37 -0.08 0.37 0.00 0.00 175.52 176.44 2wka h GLU 329 N 1.19 0.80 -0.41 6.66 4.81 -0.97 0.39 114.58 127.05 2wka h GLU 329 Ca 0.29 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2wka h GLU 329 Cb 0.10 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2wka h GLU 329 CO -0.04 0.56 0.11 0.87 -0.73 0.00 0.00 179.01 179.78 2wka h LYS 330 N 0.81 0.65 -0.15 1.92 1.57 -1.16 -1.37 116.57 118.83 2wka h LYS 330 Ca 0.22 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2wka h LYS 330 Cb -0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2wka h LYS 330 CO -0.04 0.66 0.09 0.28 -0.57 0.00 0.00 179.45 179.86 2wka h VAL 331 N 0.52 1.08 -0.37 0.50 2.07 -0.84 -1.58 116.25 117.63 2wka h VAL 331 Ca 0.13 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.52 2wka h VAL 331 Cb 0.29 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 2wka h VAL 331 CO -0.00 0.07 0.03 -0.09 0.02 0.00 0.00 177.57 177.60 2wka h ARG 332 N 0.16 0.13 -0.60 1.57 2.43 -0.79 0.39 114.38 117.67 2wka h ARG 332 Ca 0.05 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 2wka h ARG 332 Cb 0.04 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2wka h ARG 332 CO -0.01 0.09 0.21 -0.44 -1.51 0.00 0.00 179.97 178.31 2wka h ASP 333 N 0.14 0.83 0.16 -3.80 3.32 -1.11 0.33 116.42 116.28 2wka h ASP 333 Ca 0.18 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2wka h ASP 333 Cb 0.24 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2wka h ASP 333 CO -0.28 0.77 -0.08 0.22 -1.72 0.00 0.00 179.24 178.16 2wka h TYR 334 N 0.88 -0.20 0.04 4.55 3.20 -0.70 -1.18 116.97 123.55 2wka h TYR 334 Ca 0.20 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.09 2wka h TYR 334 Cb 0.22 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 2wka h TYR 334 CO 0.02 0.01 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.21 2wka h LEU 335 N -0.38 -0.78 -0.93 2.82 4.07 -0.62 -2.47 115.31 117.02 2wka h LEU 335 Ca -0.02 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2wka h LEU 335 Cb 0.30 0.31 -0.05 0.00 1.08 0.00 0.00 40.66 42.30 2wka h LEU 335 CO 0.04 -0.34 0.59 -0.33 -1.08 0.00 0.00 178.44 177.32 2wka h GLU 336 N -0.43 1.24 -0.05 1.13 5.08 -0.75 -0.79 114.58 120.02 2wka h GLU 336 Ca 0.05 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2wka h GLU 336 Cb 0.50 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2wka h GLU 336 CO -0.21 0.84 0.04 0.77 -1.00 0.00 0.00 179.01 179.45 2wka h SER 337 N 1.27 0.00 -0.38 1.42 0.02 -1.01 -2.14 113.55 112.72 2wka h SER 337 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2wka h SER 337 Cb -0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2wka h SER 337 CO -0.07 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.21 2wka n ASN 338 N -4.10 4.25 0.00 3.07 3.02 -0.40 -4.96 115.26 116.13 2wka n ASN 338 Ca -0.02 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.74 2wka n ASN 338 Cb 0.14 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 2wka n ASN 338 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wka n GLY 339 N 0.06 0.62 2.99 7.41 0.00 -0.81 -5.01 105.19 110.46 2wka n GLY 339 Ca 0.22 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 2wka n GLY 339 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wka s VAL 340 N -2.00 1.53 -0.37 1.61 1.01 -0.62 -0.92 120.40 120.65 2wka s VAL 340 Ca 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2wka s VAL 340 Cb 0.00 -1.55 0.10 0.00 0.00 0.00 0.00 36.38 34.94 2wka s VAL 340 CO 0.00 0.29 0.10 -0.36 0.00 0.00 0.00 175.10 175.12 2wka s PHE 341 N 1.47 3.69 0.00 5.22 0.08 -0.19 -2.76 117.98 125.49 2wka s PHE 341 Ca 0.02 -2.93 0.00 0.00 0.12 0.00 0.00 56.93 54.13 2wka s PHE 341 Cb -0.15 -2.97 0.00 0.00 -0.57 0.00 0.00 43.02 39.34 2wka s PHE 341 CO -0.09 -0.93 0.00 0.41 -0.10 0.00 0.00 175.22 174.50 2wka n GLY 342 N 4.19 1.02 3.21 4.36 0.00 -1.26 -0.58 105.19 116.13 2wka n GLY 342 Ca 0.03 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 2wka n GLY 342 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wka s SER 343 N -1.00 3.23 0.00 1.61 0.01 -0.30 -4.83 113.70 112.43 2wka s SER 343 Ca 0.00 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.40 2wka s SER 343 Cb 0.00 -1.46 -0.05 0.00 0.21 0.00 0.00 66.02 64.72 2wka s SER 343 CO 0.00 0.11 1.34 -0.69 0.41 0.00 0.00 173.24 174.41 2wka s VAL 344 N 0.65 3.83 -0.25 3.43 1.01 -1.26 -0.09 120.40 127.72 2wka s VAL 344 Ca -0.11 1.22 -0.05 0.00 0.00 0.00 0.00 61.98 63.05 2wka s VAL 344 Cb -0.16 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 2wka s VAL 344 CO 0.02 0.01 0.01 -0.36 0.00 0.00 0.00 175.10 174.78 2wka s PHE 345 N 2.14 3.05 0.05 5.22 0.40 0.14 -4.86 117.98 124.12 2wka s PHE 345 Ca 0.62 -0.95 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 2wka s PHE 345 Cb -0.30 -2.16 -0.00 0.00 0.51 0.00 0.00 43.02 41.06 2wka s PHE 345 CO 0.26 -0.55 0.03 0.00 0.70 0.00 0.00 175.22 175.66 2wka s ARG 347 N -2.20 3.64 0.00 0.00 1.70 -1.23 -0.72 118.95 120.14 2wka s ARG 347 Ca 0.04 2.32 0.00 0.00 -0.47 0.00 0.00 55.73 57.63 2wka s ARG 347 Cb 0.00 -4.27 0.00 0.00 -0.57 0.00 0.00 34.95 30.12 2wka s ARG 347 CO 0.03 -1.52 0.36 -0.35 -1.08 0.00 0.00 175.30 172.74 2wka n PRO 348 N 8.14 -0.70 0.06 3.89 -0.04 -1.26 -4.86 135.00 140.23 2wka n PRO 348 Ca 0.25 -0.36 -0.12 0.00 -0.04 0.00 0.00 63.50 63.23 2wka n PRO 348 Cb 0.43 -0.86 -0.02 0.00 -0.04 0.00 0.00 33.50 33.01 2wka n PRO 348 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wka h ALA 349 N 0.00 0.46 -1.68 0.55 0.00 -1.32 -3.46 119.26 113.81 2wka h ALA 349 Ca 0.00 -0.68 -0.56 0.00 0.00 0.00 0.00 54.91 53.68 2wka h ALA 349 Cb 0.14 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.75 2wka h ALA 349 CO 0.00 0.81 -0.59 0.95 0.00 0.00 0.00 179.25 180.42 2wka s THR 350 N -3.38 1.39 0.74 0.00 -4.23 -0.91 -4.96 115.64 104.29 2wka s THR 350 Ca -0.05 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.34 2wka s THR 350 Cb 0.09 -2.75 0.04 0.00 1.34 0.00 0.00 72.50 71.23 2wka s THR 350 CO 0.85 0.00 1.08 -0.94 -0.54 0.00 0.00 174.62 175.08 2wka s SER 351 N -3.62 4.82 0.57 3.99 1.04 -1.26 -3.57 113.70 115.67 2wka s SER 351 Ca 0.31 1.79 0.34 0.00 0.48 0.00 0.00 55.95 58.86 2wka s SER 351 Cb 0.08 -2.52 1.74 0.00 0.10 0.00 0.00 66.02 65.42 2wka s SER 351 CO 0.15 -1.82 2.15 0.07 0.98 0.00 0.00 173.24 174.77 2wka h LYS 352 N -0.87 0.00 -0.10 4.02 2.10 -1.96 -2.46 116.57 117.30 2wka h LYS 352 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2wka h LYS 352 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2wka h LYS 352 CO 0.53 0.05 0.00 0.09 -2.00 0.00 0.00 179.45 178.13 2wka n ASN 353 N -3.40 2.87 -2.92 7.07 3.02 -1.26 -3.84 115.26 116.81 2wka n ASN 353 Ca -0.02 -1.89 -0.23 0.00 -0.03 0.00 0.00 54.58 52.41 2wka n ASN 353 Cb 0.19 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 2wka n ASN 353 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wka n LYS 354 N 1.21 2.54 -1.59 3.52 5.02 -0.92 -3.20 118.16 124.74 2wka n LYS 354 Ca 0.13 -4.32 -0.31 0.00 -2.02 0.00 0.00 58.31 51.79 2wka n LYS 354 Cb 0.53 -2.03 0.05 0.00 -0.02 0.00 0.00 35.03 33.56 2wka n LYS 354 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2wka s ASN 355 N -3.19 5.20 -0.01 4.39 0.01 -0.05 -4.51 114.94 116.78 2wka s ASN 355 Ca 0.45 1.74 0.02 0.00 -0.71 0.00 0.00 52.86 54.36 2wka s ASN 355 Cb 0.33 -2.51 -0.00 0.00 0.41 0.00 0.00 41.25 39.47 2wka s ASN 355 CO -0.12 -1.56 -0.07 -0.63 -1.51 0.00 0.00 177.10 173.21 2wka s ILE 356 N -2.85 0.54 -0.41 0.60 1.01 -0.55 -1.51 121.20 118.03 2wka s ILE 356 Ca 0.60 -0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.85 2wka s ILE 356 Cb -0.16 -0.46 0.04 0.00 0.01 0.00 0.00 42.46 41.90 2wka s ILE 356 CO 0.51 0.15 0.27 -0.63 0.00 0.00 0.00 174.94 175.24 2wka s ILE 357 N -0.12 4.80 -0.02 2.92 1.01 0.06 0.25 121.20 130.09 2wka s ILE 357 Ca 0.02 -0.92 -0.23 0.00 0.00 0.00 0.00 60.65 59.52 2wka s ILE 357 Cb -0.03 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 2wka s ILE 357 CO -0.00 -0.35 0.68 -0.60 0.00 0.00 0.00 174.94 174.67 2wka s ARG 358 N 1.58 4.42 -0.32 2.79 3.52 0.87 -1.29 118.95 130.52 2wka s ARG 358 Ca 0.03 0.88 -0.09 0.00 -0.13 0.00 0.00 55.73 56.42 2wka s ARG 358 Cb -0.20 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 29.79 2wka s ARG 358 CO 0.07 0.20 0.13 -0.51 -0.81 0.00 0.00 175.30 174.38 2wka s LEU 359 N 0.32 4.12 -0.45 -0.88 1.43 0.27 -1.15 118.68 122.35 2wka s LEU 359 Ca 0.36 -0.69 -0.16 0.00 -1.03 0.00 0.00 54.13 52.61 2wka s LEU 359 Cb -0.18 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.13 2wka s LEU 359 CO 0.19 -0.23 0.41 -0.44 0.23 0.00 0.00 176.35 176.51 2wka s SER 360 N 1.56 6.16 0.44 2.29 0.01 -0.38 -0.34 113.70 123.43 2wka s SER 360 Ca 0.03 -1.05 -0.20 0.00 1.31 0.00 0.00 55.95 56.04 2wka s SER 360 Cb -0.18 -2.20 -0.10 0.00 0.21 0.00 0.00 66.02 63.75 2wka s SER 360 CO 0.05 -0.62 0.95 -0.76 0.41 0.00 0.00 173.24 173.27 2wka s LEU 361 N 1.87 3.89 0.21 2.44 1.43 -0.48 -4.16 118.68 123.88 2wka s LEU 361 Ca 0.07 1.66 0.01 0.00 -1.03 0.00 0.00 54.13 54.84 2wka s LEU 361 Cb -0.21 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.44 2wka s LEU 361 CO 0.09 -0.39 0.04 0.54 0.23 0.00 0.00 176.35 176.86 2wka s ASN 362 N -2.33 1.17 0.00 2.29 2.20 -1.26 -4.73 114.94 112.28 2wka s ASN 362 Ca 0.61 -1.26 0.14 0.00 -0.94 0.00 0.00 52.86 51.41 2wka s ASN 362 Cb -0.09 0.14 0.64 0.00 -2.00 0.00 0.00 41.25 39.95 2wka s ASN 362 CO 0.16 -0.64 1.44 -1.54 -2.94 0.00 0.00 177.10 173.59 2wka n SER 363 N -0.33 0.00 0.10 3.54 3.41 0.57 -1.51 113.62 119.40 2wka n SER 363 Ca -0.04 0.39 0.13 0.00 -0.26 0.00 0.00 58.87 59.10 2wka n SER 363 Cb 0.64 -0.45 0.38 0.00 -0.26 0.00 0.00 64.21 64.53 2wka n SER 363 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2wka n ASP 364 N -1.45 0.79 -4.76 4.04 8.00 -1.26 -4.82 116.55 117.09 2wka n ASP 364 Ca 0.04 0.51 -0.41 0.00 0.71 0.00 0.00 54.79 55.64 2wka n ASP 364 Cb 0.15 -0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 40.58 2wka n ASP 364 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wka s VAL 365 N -3.11 2.64 0.38 2.53 1.01 -0.57 -5.02 120.40 118.27 2wka s VAL 365 Ca 0.10 0.58 -0.02 0.00 0.00 0.00 0.00 61.98 62.64 2wka s VAL 365 Cb 0.13 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2wka s VAL 365 CO 0.61 0.11 0.63 0.20 0.00 0.00 0.00 175.10 176.66 2wka s ASN 366 N 0.01 6.31 0.21 3.32 0.01 -1.26 -4.98 114.94 118.55 2wka s ASN 366 Ca 0.55 0.66 -0.10 0.00 -0.71 0.00 0.00 52.86 53.26 2wka s ASN 366 Cb -0.41 -2.13 0.25 0.00 0.41 0.00 0.00 41.25 39.37 2wka s ASN 366 CO 0.48 -0.37 1.78 0.44 -1.51 0.00 0.00 177.10 177.92 2wka h ASP 367 N 0.74 0.40 -0.22 -1.22 5.19 -1.99 -0.28 116.42 119.03 2wka h ASP 367 Ca -0.48 0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 55.90 2wka h ASP 367 Cb 1.21 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.68 2wka h ASP 367 CO 0.62 0.25 -0.09 -0.08 -3.12 0.00 0.00 179.24 176.82 2wka h GLU 368 N 0.55 0.59 -0.37 3.56 4.81 -1.99 -1.07 114.58 120.66 2wka h GLU 368 Ca 0.29 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 2wka h GLU 368 Cb 0.27 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2wka h GLU 368 CO -0.23 0.68 -0.22 1.96 -0.73 0.00 0.00 179.01 180.47 2wka h GLN 369 N 0.55 0.81 -0.09 1.92 4.20 -1.85 -1.74 115.11 118.91 2wka h GLN 369 Ca 0.10 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2wka h GLN 369 Cb 0.48 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 2wka h GLN 369 CO 0.03 1.00 0.06 0.82 -0.67 0.00 0.00 178.83 180.07 2wka h ILE 370 N 0.60 1.02 -0.70 2.54 1.08 -0.67 -0.94 117.51 120.44 2wka h ILE 370 Ca 0.08 -0.04 0.10 0.00 -0.39 0.00 0.00 64.86 64.60 2wka h ILE 370 Cb 0.78 0.89 -0.07 0.00 -3.07 0.00 0.00 36.82 35.35 2wka h ILE 370 CO 0.06 0.02 0.34 0.00 -0.69 0.00 0.00 178.15 177.89 2wka h ALA 371 N 1.03 0.97 -0.71 1.87 0.00 -1.18 -1.85 119.26 119.40 2wka h ALA 371 Ca 0.03 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2wka h ALA 371 Cb -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2wka h ALA 371 CO -0.01 -0.07 0.25 -0.22 0.00 0.00 0.00 179.25 179.20 2wka h LYS 372 N 0.58 1.08 0.05 0.00 1.63 -0.81 -0.39 116.57 118.71 2wka h LYS 372 Ca 0.35 -0.22 -0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2wka h LYS 372 Cb 0.38 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2wka h LYS 372 CO -0.28 0.92 -0.02 0.82 -3.45 0.00 0.00 179.45 177.44 2wka h ILE 373 N 1.03 0.97 -0.88 2.00 2.04 -0.70 0.08 117.51 122.05 2wka h ILE 373 Ca 0.23 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 66.13 2wka h ILE 373 Cb 0.27 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 2wka h ILE 373 CO -0.01 0.01 0.53 0.40 0.00 0.00 0.00 178.15 179.08 2wka h ILE 374 N -0.08 0.96 -0.37 -0.67 2.04 -1.11 -0.42 117.51 117.86 2wka h ILE 374 Ca -0.01 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 2wka h ILE 374 Cb 0.07 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 2wka h ILE 374 CO 0.01 0.17 0.13 -0.08 0.00 0.00 0.00 178.15 178.38 2wka h GLU 375 N 0.91 0.57 -0.67 2.37 4.81 -0.71 0.24 114.58 122.10 2wka h GLU 375 Ca 0.41 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 2wka h GLU 375 Cb 0.32 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2wka h GLU 375 CO -0.22 0.57 0.28 0.28 -0.73 0.00 0.00 179.01 179.19 2wka h VAL 376 N 0.45 1.24 -0.16 0.32 2.07 -0.45 -1.49 116.25 118.23 2wka h VAL 376 Ca 0.12 -0.72 -0.12 0.00 0.82 0.00 0.00 66.70 66.81 2wka h VAL 376 Cb 0.23 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2wka h VAL 376 CO -0.01 0.29 -0.41 0.00 0.02 0.00 0.00 177.57 177.46 2wka h SER 378 N 0.31 0.14 -0.14 0.00 0.87 -0.08 -0.41 113.55 114.23 2wka h SER 378 Ca 0.03 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 2wka h SER 378 Cb 0.86 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2wka h SER 378 CO 0.07 0.13 -0.12 0.44 -0.53 0.00 0.00 176.83 176.83 2wka h ASP 379 N 0.13 0.48 -0.45 6.23 3.45 -1.06 -2.70 116.42 122.49 2wka h ASP 379 Ca 0.04 -0.12 -0.05 0.00 0.43 0.00 0.00 57.03 57.32 2wka h ASP 379 Cb 0.02 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.65 2wka h ASP 379 CO -0.01 0.64 0.07 0.00 -1.57 0.00 0.00 179.24 178.37 2wka h ALA 380 N 1.41 0.60 0.00 3.45 0.00 -0.63 -0.63 119.26 123.46 2wka h ALA 380 Ca 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2wka h ALA 380 Cb 0.49 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2wka h ALA 380 CO 0.03 0.32 -0.05 0.28 0.00 0.00 0.00 179.25 179.83 2wka h VAL 381 N 0.61 0.78 0.00 0.00 2.07 -0.78 -2.34 116.25 116.59 2wka h VAL 381 Ca 0.14 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2wka h VAL 381 Cb 0.38 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2wka h VAL 381 CO 0.01 0.05 -0.83 0.59 0.02 0.00 0.00 177.57 177.41 2wka n ASN 382 N -4.09 0.63 -0.25 0.57 3.02 -0.87 -4.55 115.26 109.72 2wka n ASN 382 Ca -0.03 -0.24 -0.06 0.00 -0.03 0.00 0.00 54.58 54.22 2wka n ASN 382 Cb 0.14 0.58 0.08 0.00 -0.61 0.00 0.00 39.78 39.97 2wka n ASN 382 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2wka h TYR 383 N 0.00 1.15 0.00 3.10 3.20 -0.55 -3.48 116.97 120.40 2wka h TYR 383 Ca 0.00 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.75 2wka h TYR 383 Cb 0.65 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.59 2wka h TYR 383 CO 0.00 0.92 0.00 0.41 -1.64 0.00 0.00 178.16 177.85 2wka n GLY 384 N -0.76 1.07 0.06 1.82 0.00 -1.26 -4.92 105.19 101.20 2wka n GLY 384 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2wka n GLY 384 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wka n ASP 385 N 0.00 0.39 -3.27 1.61 2.03 -1.26 -4.95 116.55 111.09 2wka n ASP 385 Ca 0.00 -0.22 -0.05 0.00 0.52 0.00 0.00 54.79 55.05 2wka n ASP 385 Cb 0.00 -0.08 0.02 0.00 -0.72 0.00 0.00 41.12 40.34 2wka n ASP 385 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2wka s PHE 386 N -2.77 0.06 0.31 -0.67 -0.12 -1.26 -4.97 117.98 108.56 2wka s PHE 386 Ca 0.19 -0.54 0.06 0.00 -0.05 0.00 0.00 56.93 56.59 2wka s PHE 386 Cb 0.19 0.74 -0.06 0.00 -0.63 0.00 0.00 43.02 43.26 2wka s PHE 386 CO 0.56 -1.11 -0.02 1.52 -0.05 0.00 0.00 175.22 176.12 2wka s TYR 387 N -2.33 2.04 0.13 3.49 -0.85 -1.26 -4.98 117.35 113.58 2wka s TYR 387 Ca 0.19 -0.76 0.11 0.00 -0.52 0.00 0.00 57.07 56.08 2wka s TYR 387 Cb -0.03 -1.25 -0.04 0.00 0.38 0.00 0.00 41.96 41.01 2wka s TYR 387 CO 0.07 0.23 -0.26 -0.06 -1.52 0.00 0.00 175.55 174.01 2wka s PHE 388 N -3.04 2.25 -2.69 -3.49 0.08 -1.26 -4.82 117.98 105.00 2wka s PHE 388 Ca 0.32 -0.38 0.26 0.00 0.12 0.00 0.00 56.93 57.25 2wka s PHE 388 Cb 0.06 -1.21 0.72 0.00 -0.57 0.00 0.00 43.02 42.02 2wka s PHE 388 CO 0.14 0.33 1.56 0.54 -0.10 0.00 0.00 175.22 177.69