#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wag s SER 3 N 0.00 3.21 0.26 1.61 0.01 -1.26 -5.12 113.70 112.41 2wag s SER 3 Ca 0.00 -0.53 -0.09 0.00 1.31 0.00 0.00 55.95 56.64 2wag s SER 3 Cb 0.00 -1.44 -0.07 0.00 0.21 0.00 0.00 66.02 64.72 2wag s SER 3 CO 0.00 0.16 0.57 -0.55 0.41 0.00 0.00 173.24 173.83 2wag s SER 4 N 0.36 6.60 0.10 2.44 0.15 -1.26 -4.99 113.70 117.10 2wag s SER 4 Ca -0.17 0.92 0.26 0.00 0.70 0.00 0.00 55.95 57.65 2wag s SER 4 Cb -0.18 -2.23 0.99 0.00 -1.71 0.00 0.00 66.02 62.90 2wag s SER 4 CO 0.08 -0.12 1.80 0.00 1.20 0.00 0.00 173.24 176.20 2wag n HIS 5 N -0.36 0.42 -2.28 3.44 -0.00 -1.26 -4.81 115.22 110.38 2wag n HIS 5 Ca 0.00 0.13 -0.33 0.00 -0.00 0.00 0.00 57.72 57.53 2wag n HIS 5 Cb 0.53 -0.71 -0.01 0.00 -0.00 0.00 0.00 29.99 29.79 2wag n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2wag s HIS 6 N -3.07 3.09 0.16 -1.40 3.76 -1.26 -5.07 115.29 111.50 2wag s HIS 6 Ca 0.11 1.52 0.10 0.00 -0.15 0.00 0.00 55.06 56.65 2wag s HIS 6 Cb 0.15 -2.98 -0.04 0.00 1.11 0.00 0.00 32.58 30.82 2wag s HIS 6 CO 0.51 -0.86 -0.21 -1.01 -0.85 0.00 0.00 174.74 172.32 2wag s HIS 7 N -2.35 2.41 -0.07 1.40 4.02 -1.26 -5.11 115.29 114.32 2wag s HIS 7 Ca 0.64 -0.32 -0.21 0.00 1.02 0.00 0.00 55.06 56.18 2wag s HIS 7 Cb -0.15 -1.23 -0.04 0.00 -1.02 0.00 0.00 32.58 30.14 2wag s HIS 7 CO 0.30 0.45 0.61 -1.58 1.02 0.00 0.00 174.74 175.54 2wag s HIS 8 N -1.44 3.57 0.21 1.40 5.65 -1.26 -5.07 115.29 118.35 2wag s HIS 8 Ca 0.19 1.12 0.08 0.00 0.25 0.00 0.00 55.06 56.71 2wag s HIS 8 Cb -0.09 -2.70 -0.04 0.00 -1.18 0.00 0.00 32.58 28.57 2wag s HIS 8 CO 0.10 0.15 0.04 -1.01 -0.65 0.00 0.00 174.74 173.37 2wag s HIS 9 N 0.61 2.86 0.53 3.88 0.09 -1.26 -4.69 115.29 117.31 2wag s HIS 9 Ca 0.33 -0.15 -0.17 0.00 -0.00 0.00 0.00 55.06 55.06 2wag s HIS 9 Cb -0.17 -1.33 -0.07 0.00 -0.00 0.00 0.00 32.58 31.01 2wag s HIS 9 CO 0.15 0.55 1.02 -3.38 -0.00 0.00 0.00 174.74 173.08 2wag s HIS 10 N -1.98 3.20 0.47 1.40 -0.00 -1.26 -5.01 115.29 112.10 2wag s HIS 10 Ca 0.30 1.52 -0.25 0.00 -0.00 0.00 0.00 55.06 56.63 2wag s HIS 10 Cb -0.08 -2.92 -0.08 0.00 -0.00 0.00 0.00 32.58 29.50 2wag s HIS 10 CO 0.20 -0.67 1.41 -1.64 -0.00 0.00 0.00 174.74 174.04 2wag s MET 11 N -3.82 3.58 0.51 -0.38 -1.94 -1.26 -4.90 119.30 111.09 2wag s MET 11 Ca 0.62 2.38 0.18 0.00 -1.71 0.00 0.00 55.69 57.16 2wag s MET 11 Cb -0.13 -2.57 1.27 0.00 2.01 0.00 0.00 34.83 35.40 2wag s MET 11 CO 0.29 -0.89 2.11 -0.44 -0.01 0.00 0.00 175.02 176.08 2wag h ASP 12 N 2.15 0.00 0.50 3.03 3.32 -2.06 -2.54 116.42 120.81 2wag h ASP 12 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2wag h ASP 12 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2wag h ASP 12 CO 0.60 0.07 0.00 0.08 -1.72 0.00 0.00 179.24 178.27 2wag h ARG 13 N 0.00 0.00 -4.35 3.56 0.11 -2.02 -3.39 114.38 108.30 2wag h ARG 13 Ca -0.00 0.00 -0.73 0.00 0.10 0.00 0.00 59.98 59.34 2wag h ARG 13 Cb 0.12 0.00 -0.22 0.00 1.11 0.00 0.00 29.97 30.98 2wag h ARG 13 CO 0.01 0.00 -0.35 0.71 0.10 0.00 0.00 179.97 180.44 2wag s TYR 14 N -3.65 3.25 -2.01 4.08 2.02 -0.96 -4.93 117.35 115.15 2wag s TYR 14 Ca -0.00 -0.87 0.23 0.00 -0.37 0.00 0.00 57.07 56.06 2wag s TYR 14 Cb 0.09 -3.05 0.02 0.00 -0.40 0.00 0.00 41.96 38.62 2wag s TYR 14 CO 0.40 -0.76 1.11 0.39 -1.57 0.00 0.00 175.55 175.12 2wag n GLU 15 N 5.19 1.18 -3.46 -0.62 1.02 -1.26 -4.82 120.64 117.87 2wag n GLU 15 Ca -0.12 -0.97 -0.43 0.00 -0.02 0.00 0.00 57.16 55.62 2wag n GLU 15 Cb 0.44 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 30.30 2wag n GLU 15 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2wag s ILE 16 N -2.49 5.01 0.25 -3.67 -1.09 -1.26 -5.05 121.20 112.91 2wag s ILE 16 Ca 0.19 -1.02 0.11 0.00 -2.23 0.00 0.00 60.65 57.70 2wag s ILE 16 Cb 0.18 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 37.07 2wag s ILE 16 CO 0.58 -0.48 -0.16 -1.59 -1.23 0.00 0.00 174.94 172.05 2wag s LYS 17 N 1.61 1.80 0.26 2.79 -2.85 -1.26 -0.98 119.74 121.09 2wag s LYS 17 Ca 0.04 -1.62 -0.21 0.00 -1.00 0.00 0.00 55.97 53.18 2wag s LYS 17 Cb -0.23 -1.89 0.06 0.00 -2.06 0.00 0.00 37.83 33.72 2wag s LYS 17 CO 0.07 0.36 0.89 0.20 0.10 0.00 0.00 175.35 176.97 2wag s GLY 18 N -3.34 0.08 0.32 0.59 0.00 -0.49 -0.14 107.32 104.34 2wag s GLY 18 Ca 0.28 -0.35 0.09 0.00 0.00 0.00 0.00 44.72 44.74 2wag s GLY 18 CO 0.15 0.61 -0.02 -1.34 0.00 0.00 0.00 173.10 172.50 2wag s VAL 19 N -2.75 2.74 -0.00 1.40 -7.23 -0.42 -0.61 120.40 113.53 2wag s VAL 19 Ca 0.16 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.34 2wag s VAL 19 Cb -0.04 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 2wag s VAL 19 CO 0.07 -0.26 -0.10 1.51 -0.31 0.00 0.00 175.10 176.01 2wag s ASP 20 N -3.68 1.14 0.05 4.85 -4.77 -1.02 -1.39 116.67 111.85 2wag s ASP 20 Ca 0.34 -0.20 -0.02 0.00 -3.30 0.00 0.00 52.55 49.36 2wag s ASP 20 Cb -0.02 -0.12 -0.03 0.00 -1.09 0.00 0.00 42.92 41.66 2wag s ASP 20 CO 0.19 0.10 0.01 0.68 0.70 0.00 0.00 175.17 176.85 2wag s VAL 21 N -0.30 0.19 0.19 2.11 -7.23 -0.64 -3.73 120.40 110.99 2wag s VAL 21 Ca 0.03 -1.58 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 2wag s VAL 21 Cb -0.04 -1.31 -0.01 0.00 0.56 0.00 0.00 36.38 35.58 2wag s VAL 21 CO -0.00 -0.87 0.12 0.00 -0.31 0.00 0.00 175.10 174.03 2wag n ALA 22 N 0.31 0.34 0.29 1.32 0.00 -1.26 -0.65 120.51 120.86 2wag n ALA 22 Ca -0.16 -1.03 0.14 0.00 0.00 0.00 0.00 53.44 52.40 2wag n ALA 22 Cb 0.60 0.77 0.88 0.00 0.00 0.00 0.00 19.45 21.70 2wag n ALA 22 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wag h SER 23 N 0.96 0.00 0.45 0.00 4.64 -1.92 -1.98 113.55 115.70 2wag h SER 23 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2wag h SER 23 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2wag h SER 23 CO 0.21 0.00 0.00 1.88 -0.87 0.00 0.00 176.83 178.05 2wag h TYR 24 N 0.00 0.00 -0.00 4.77 0.05 -1.99 0.25 116.97 120.05 2wag h TYR 24 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2wag h TYR 24 Cb 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.75 2wag h TYR 24 CO 0.00 0.00 -0.00 1.04 -1.05 0.00 0.00 178.16 178.15 2wag n GLN 25 N -2.87 0.64 0.00 4.88 3.00 -0.74 -5.02 117.38 117.27 2wag n GLN 25 Ca -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2wag n GLN 25 Cb 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.91 2wag n GLN 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wag n GLY 26 N 1.18 -0.17 3.63 1.08 0.00 0.07 -4.64 105.19 106.34 2wag n GLY 26 Ca 0.18 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 2wag n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wag s ASP 27 N -4.00 6.77 -0.17 1.61 1.01 -1.26 -4.94 116.67 115.69 2wag s ASP 27 Ca 0.00 0.97 -0.12 0.00 0.71 0.00 0.00 52.55 54.11 2wag s ASP 27 Cb 0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 2wag s ASP 27 CO 0.00 -1.04 0.22 -0.63 0.21 0.00 0.00 175.17 173.93 2wag s ILE 28 N 4.10 5.35 -0.75 0.77 -1.09 -1.26 -5.03 121.20 123.29 2wag s ILE 28 Ca 0.50 0.39 -0.19 0.00 -2.23 0.00 0.00 60.65 59.11 2wag s ILE 28 Cb -0.13 -3.56 0.11 0.00 -1.58 0.00 0.00 42.46 37.31 2wag s ILE 28 CO 0.22 0.42 0.93 -0.62 -1.23 0.00 0.00 174.94 174.66 2wag s ASP 29 N 0.32 6.38 0.29 3.58 -1.08 -1.26 -4.90 116.67 120.01 2wag s ASP 29 Ca 0.13 -1.63 0.04 0.00 -0.52 0.00 0.00 52.55 50.56 2wag s ASP 29 Cb -0.12 -2.36 0.46 0.00 -1.46 0.00 0.00 42.92 39.44 2wag s ASP 29 CO 0.02 -1.14 1.74 -0.50 0.52 0.00 0.00 175.17 175.81 2wag h TRP 30 N 9.05 0.48 -0.39 -5.34 4.06 -1.96 -2.04 115.95 119.81 2wag h TRP 30 Ca -0.10 -0.10 -0.05 0.00 2.06 0.00 0.00 58.89 60.70 2wag h TRP 30 Cb 1.06 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 29.08 2wag h TRP 30 CO 1.00 0.65 0.04 0.07 -3.56 0.00 0.00 178.44 176.64 2wag h ARG 31 N 0.39 0.60 -0.32 0.49 -0.00 -1.90 -0.87 114.38 112.77 2wag h ARG 31 Ca 0.06 -0.12 -0.14 0.00 -0.00 0.00 0.00 59.98 59.77 2wag h ARG 31 Cb 0.64 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 30.51 2wag h ARG 31 CO 0.05 0.60 -0.37 1.49 -0.00 0.00 0.00 179.97 181.73 2wag h GLU 32 N 0.58 0.74 -0.62 0.08 4.57 -1.81 -1.76 114.58 116.36 2wag h GLU 32 Ca 0.13 -0.37 -0.05 0.00 -1.18 0.00 0.00 59.36 57.89 2wag h GLU 32 Cb 0.31 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 2wag h GLU 32 CO 0.01 0.99 0.20 -0.07 -1.18 0.00 0.00 179.01 178.95 2wag h LEU 33 N 0.61 0.90 -1.04 1.64 3.38 -1.03 -2.68 115.31 117.09 2wag h LEU 33 Ca 0.06 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.88 2wag h LEU 33 Cb 0.91 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 2wag h LEU 33 CO 0.08 0.86 0.64 -0.08 0.09 0.00 0.00 178.44 180.03 2wag h GLU 34 N 0.89 1.15 0.00 1.13 4.81 -0.98 -1.06 114.58 120.52 2wag h GLU 34 Ca 0.20 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2wag h GLU 34 Cb 0.28 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2wag h GLU 34 CO -0.01 0.76 0.00 1.63 -0.73 0.00 0.00 179.01 180.66 2wag n LYS 35 N -4.48 0.05 -0.90 1.92 5.02 -0.68 -2.02 118.16 117.07 2wag n LYS 35 Ca 0.14 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2wag n LYS 35 Cb 0.15 -1.61 0.33 0.00 -0.02 0.00 0.00 35.03 33.88 2wag n LYS 35 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2wag n GLN 36 N -1.71 3.90 -2.30 1.97 6.02 -0.42 -4.92 117.38 119.92 2wag n GLN 36 Ca 0.02 -3.09 -0.18 0.00 -0.01 0.00 0.00 57.00 53.73 2wag n GLN 36 Cb 0.12 -2.17 -0.01 0.00 1.02 0.00 0.00 30.24 29.20 2wag n GLN 36 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2wag n ASN 37 N -0.02 -5.33 -4.67 1.08 5.15 -0.86 -4.97 115.26 105.65 2wag n ASN 37 Ca 0.34 0.01 -0.43 0.00 -0.60 0.00 0.00 54.58 53.90 2wag n ASN 37 Cb 1.25 -4.40 -0.02 0.00 -0.53 0.00 0.00 39.78 36.08 2wag n ASN 37 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2wag s MET 38 N -4.84 4.28 0.04 1.20 -1.94 -1.10 -4.57 119.30 112.36 2wag s MET 38 Ca 0.00 1.59 0.23 0.00 -1.71 0.00 0.00 55.69 55.80 2wag s MET 38 Cb 0.00 -3.68 -0.05 0.00 2.01 0.00 0.00 34.83 33.11 2wag s MET 38 CO 0.00 -0.61 0.93 1.63 -0.01 0.00 0.00 175.02 176.96 2wag n LYS 39 N 6.15 0.33 -3.77 2.03 5.02 0.81 -4.57 118.16 124.16 2wag n LYS 39 Ca 0.13 -0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.29 2wag n LYS 39 Cb 0.46 -1.59 -0.05 0.00 -0.02 0.00 0.00 35.03 33.83 2wag n LYS 39 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2wag s PHE 40 N -3.24 0.01 -0.05 2.13 -0.12 -1.23 -1.23 117.98 114.25 2wag s PHE 40 Ca 0.02 -0.36 -0.03 0.00 -0.05 0.00 0.00 56.93 56.51 2wag s PHE 40 Cb 0.14 0.17 0.02 0.00 -0.63 0.00 0.00 43.02 42.72 2wag s PHE 40 CO 0.83 -0.73 0.11 0.00 -0.05 0.00 0.00 175.22 175.38 2wag s ALA 41 N -3.86 -0.23 -0.20 1.99 0.00 -0.47 -1.30 121.76 117.69 2wag s ALA 41 Ca 0.08 0.45 -0.04 0.00 0.00 0.00 0.00 51.96 52.45 2wag s ALA 41 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 2wag s ALA 41 CO -0.07 -0.10 -0.05 -0.06 0.00 0.00 0.00 175.76 175.48 2wag s PHE 42 N 0.59 2.96 -0.14 0.00 0.08 -0.49 -1.17 117.98 119.82 2wag s PHE 42 Ca -0.04 -0.72 -0.02 0.00 0.12 0.00 0.00 56.93 56.27 2wag s PHE 42 Cb -0.06 -2.05 -0.02 0.00 -0.57 0.00 0.00 43.02 40.32 2wag s PHE 42 CO -0.03 -0.38 -0.09 0.42 -0.10 0.00 0.00 175.22 175.05 2wag s ILE 43 N 1.09 3.42 0.13 0.64 1.01 -0.24 -1.62 121.20 125.63 2wag s ILE 43 Ca 0.01 -0.53 -0.31 0.00 0.00 0.00 0.00 60.65 59.82 2wag s ILE 43 Cb -0.15 -2.46 -0.09 0.00 0.01 0.00 0.00 42.46 39.77 2wag s ILE 43 CO -0.00 0.51 1.63 -0.75 0.00 0.00 0.00 174.94 176.33 2wag s LYS 44 N 0.30 4.20 -0.16 2.79 2.20 0.18 -1.14 119.74 128.11 2wag s LYS 44 Ca -0.07 2.37 -0.14 0.00 -0.36 0.00 0.00 55.97 57.77 2wag s LYS 44 Cb -0.15 -3.36 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 2wag s LYS 44 CO 0.04 -0.68 -0.29 0.00 -0.36 0.00 0.00 175.35 174.06 2wag n ALA 45 N 4.73 1.33 -2.21 3.13 0.00 -0.20 -4.36 120.51 122.93 2wag n ALA 45 Ca 0.15 -0.75 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 2wag n ALA 45 Cb 0.39 0.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 2wag n ALA 45 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wag s THR 46 N -2.65 0.73 -0.04 0.00 -4.23 -1.22 -0.93 115.64 107.31 2wag s THR 46 Ca -0.26 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 58.25 2wag s THR 46 Cb 0.06 -1.91 0.02 0.00 1.34 0.00 0.00 72.50 72.01 2wag s THR 46 CO 0.37 -0.67 0.09 -0.70 -0.54 0.00 0.00 174.62 173.17 2wag s GLU 47 N -3.86 0.09 3.70 3.99 2.12 -0.71 -0.65 118.70 123.37 2wag s GLU 47 Ca 0.18 0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.68 2wag s GLU 47 Cb 0.05 -0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.43 2wag s GLU 47 CO -0.00 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 2wag n GLY 48 N 3.35 1.72 0.14 -1.50 0.00 -0.84 -2.03 105.19 106.03 2wag n GLY 48 Ca -0.16 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 45.42 2wag n GLY 48 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wag h SER 49 N 7.10 0.00 0.00 1.61 4.64 -1.92 -3.41 113.55 121.57 2wag h SER 49 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wag h SER 49 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wag h SER 49 CO 0.00 0.38 0.00 0.00 -0.87 0.00 0.00 176.83 176.34 2wag n ALA 50 N -2.24 0.00 -2.36 5.18 0.00 -1.24 -4.77 120.51 115.07 2wag n ALA 50 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 2wag n ALA 50 Cb 0.71 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.10 2wag n ALA 50 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2wag s PHE 51 N 0.00 3.77 -0.12 0.00 5.36 -0.86 -4.99 117.98 121.15 2wag s PHE 51 Ca 0.00 1.16 0.02 0.00 -0.96 0.00 0.00 56.93 57.15 2wag s PHE 51 Cb 0.00 -2.41 0.01 0.00 -0.34 0.00 0.00 43.02 40.28 2wag s PHE 51 CO 0.00 0.61 -0.16 0.08 -1.46 0.00 0.00 175.22 174.29 2wag s VAL 52 N -1.11 1.57 0.27 3.12 1.01 -1.26 -1.73 120.40 122.27 2wag s VAL 52 Ca 0.27 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 2wag s VAL 52 Cb -0.18 -1.43 -0.12 0.00 0.00 0.00 0.00 36.38 34.65 2wag s VAL 52 CO 0.17 0.46 1.62 -0.67 0.00 0.00 0.00 175.10 176.67 2wag n ASP 53 N 4.23 3.84 0.24 3.32 2.03 -0.10 -4.87 116.55 125.24 2wag n ASP 53 Ca -0.19 1.13 0.16 0.00 0.52 0.00 0.00 54.79 56.41 2wag n ASP 53 Cb 0.51 -1.58 0.69 0.00 -0.72 0.00 0.00 41.12 40.02 2wag n ASP 53 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2wag h LYS 54 N 5.24 0.00 -0.32 -0.67 2.10 -1.93 -2.39 116.57 118.59 2wag h LYS 54 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2wag h LYS 54 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2wag h LYS 54 CO 0.83 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.94 2wag n TYR 55 N -2.84 0.43 0.01 0.07 4.01 -1.26 -4.69 117.16 112.89 2wag n TYR 55 Ca 0.00 -0.40 -0.10 0.00 -0.16 0.00 0.00 57.90 57.24 2wag n TYR 55 Cb 0.25 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.21 2wag n TYR 55 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 2wag h PHE 56 N 2.34 -0.10 -0.53 -0.72 3.57 -1.62 0.59 116.94 120.48 2wag h PHE 56 Ca 0.00 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2wag h PHE 56 Cb 0.72 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2wag h PHE 56 CO 0.21 -0.07 -0.04 0.66 -2.23 0.00 0.00 178.31 176.84 2wag h SER 57 N -0.04 0.91 -0.23 0.41 4.64 -1.84 0.19 113.55 117.59 2wag h SER 57 Ca 0.04 -0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 61.07 2wag h SER 57 Cb 0.11 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2wag h SER 57 CO -0.10 1.00 0.01 0.50 -0.87 0.00 0.00 176.83 177.37 2wag h LYS 58 N 0.85 0.41 -0.57 4.77 3.64 -1.84 -2.12 116.57 121.71 2wag h LYS 58 Ca 0.15 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 2wag h LYS 58 Cb 0.56 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2wag h LYS 58 CO 0.03 0.58 0.16 -0.91 -2.27 0.00 0.00 179.45 177.04 2wag h ASN 59 N 0.18 0.85 -0.21 4.20 2.35 -0.58 -0.53 115.58 121.83 2wag h ASN 59 Ca 0.07 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2wag h ASN 59 Cb 0.39 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 2wag h ASN 59 CO 0.01 0.84 0.14 -0.25 -1.65 0.00 0.00 177.43 176.52 2wag h TRP 60 N 0.81 0.27 -0.14 1.19 2.91 -0.61 0.14 115.95 120.52 2wag h TRP 60 Ca 0.18 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.20 2wag h TRP 60 Cb 0.31 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.86 2wag h TRP 60 CO 0.02 0.19 0.07 1.15 -1.03 0.00 0.00 178.44 178.84 2wag h THR 61 N 0.28 1.11 -0.24 2.65 2.02 -1.23 -2.12 112.91 115.37 2wag h THR 61 Ca 0.08 -0.30 -0.20 0.00 0.77 0.00 0.00 66.41 66.76 2wag h THR 61 Cb -0.01 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2wag h THR 61 CO -0.02 0.10 -0.62 0.78 0.37 0.00 0.00 175.52 176.13 2wag h ASN 62 N 0.11 0.95 -0.26 4.18 2.35 -0.90 -2.86 115.58 119.15 2wag h ASN 62 Ca 0.05 -0.55 -0.08 0.00 -0.55 0.00 0.00 56.30 55.17 2wag h ASN 62 Cb 0.09 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 2wag h ASN 62 CO -0.01 1.34 -0.11 0.00 -1.65 0.00 0.00 177.43 177.01 2wag h ALA 63 N 0.66 1.10 0.00 -0.83 0.00 -0.72 -2.44 119.26 117.03 2wag h ALA 63 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wag h ALA 63 Cb 1.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2wag h ALA 63 CO 0.13 0.56 0.00 0.09 0.00 0.00 0.00 179.25 180.03 2wag n ASN 64 N -4.18 0.73 0.23 0.00 4.13 -0.80 -1.82 115.26 113.55 2wag n ASN 64 Ca 0.01 0.67 0.15 0.00 1.68 0.00 0.00 54.58 57.08 2wag n ASN 64 Cb 0.35 -0.83 0.47 0.00 -1.54 0.00 0.00 39.78 38.23 2wag n ASN 64 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2wag h LYS 65 N 0.00 0.00 0.00 3.52 1.57 -1.21 -3.45 116.57 116.99 2wag h LYS 65 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 2wag h LYS 65 Cb 0.41 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.81 2wag h LYS 65 CO 0.00 0.00 0.19 0.25 -0.57 0.00 0.00 179.45 179.32 2wag n THR 66 N -2.95 0.00 0.81 -0.16 -2.24 -0.76 -5.00 114.28 103.99 2wag n THR 66 Ca 0.02 -0.84 0.11 0.00 -2.27 0.00 0.00 64.05 61.07 2wag n THR 66 Cb 0.38 -1.39 0.29 0.00 -2.10 0.00 0.00 70.33 67.51 2wag n THR 66 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2wag n SER 67 N -3.29 2.55 -4.74 3.42 7.64 -1.26 -4.95 113.62 112.99 2wag n SER 67 Ca 0.11 -1.85 -0.30 0.00 1.01 0.00 0.00 58.87 57.84 2wag n SER 67 Cb 0.40 -0.16 0.12 0.00 -1.01 0.00 0.00 64.21 63.56 2wag n SER 67 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2wag s MET 68 N -1.68 1.61 0.00 1.43 -1.94 -1.26 -5.01 119.30 112.45 2wag s MET 68 Ca 0.35 0.91 -0.22 0.00 -1.71 0.00 0.00 55.69 55.02 2wag s MET 68 Cb 0.20 -1.84 -0.05 0.00 2.01 0.00 0.00 34.83 35.14 2wag s MET 68 CO 0.29 -2.02 0.64 1.03 -0.01 0.00 0.00 175.02 174.95 2wag s ARG 69 N -4.94 4.36 -0.04 2.03 0.52 -0.36 -4.93 118.95 115.59 2wag s ARG 69 Ca 0.63 0.82 0.03 0.00 -0.52 0.00 0.00 55.73 56.69 2wag s ARG 69 Cb -0.17 -3.35 0.00 0.00 0.52 0.00 0.00 34.95 31.94 2wag s ARG 69 CO 0.56 0.33 -0.14 0.08 0.02 0.00 0.00 175.30 176.15 2wag s VAL 70 N -0.11 1.23 0.33 3.52 1.01 -1.26 -1.37 120.40 123.76 2wag s VAL 70 Ca 0.33 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.75 2wag s VAL 70 Cb -0.19 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2wag s VAL 70 CO 0.18 0.36 0.16 -0.83 0.00 0.00 0.00 175.10 174.98 2wag s GLY 71 N 0.20 2.23 0.12 4.51 0.00 -0.31 -1.06 107.32 113.00 2wag s GLY 71 Ca -0.06 -1.67 0.08 0.00 0.00 0.00 0.00 44.72 43.07 2wag s GLY 71 CO 0.02 -1.65 -0.20 0.00 0.00 0.00 0.00 173.10 171.27 2wag s ALA 72 N -3.47 1.85 0.17 3.20 0.00 -1.26 -1.08 121.76 121.16 2wag s ALA 72 Ca 0.33 -1.31 0.10 0.00 0.00 0.00 0.00 51.96 51.08 2wag s ALA 72 Cb 0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2wag s ALA 72 CO 0.18 0.32 -0.23 1.52 0.00 0.00 0.00 175.76 177.55 2wag s TYR 73 N -1.42 2.12 -0.14 0.00 -0.85 -0.29 -2.22 117.35 114.54 2wag s TYR 73 Ca 0.09 -0.40 -0.03 0.00 -0.52 0.00 0.00 57.07 56.21 2wag s TYR 73 Cb -0.09 -1.08 -0.03 0.00 0.38 0.00 0.00 41.96 41.15 2wag s TYR 73 CO 0.05 0.40 -0.05 -1.58 -1.52 0.00 0.00 175.55 172.85 2wag s HIS 74 N -1.62 3.00 -0.39 -3.49 5.65 -0.14 -1.04 115.29 117.27 2wag s HIS 74 Ca 0.17 -0.28 -0.21 0.00 0.25 0.00 0.00 55.06 54.98 2wag s HIS 74 Cb -0.08 -1.92 0.01 0.00 -1.18 0.00 0.00 32.58 29.41 2wag s HIS 74 CO 0.08 -0.00 0.68 0.12 -0.65 0.00 0.00 174.74 174.97 2wag s PHE 75 N 0.22 3.10 0.34 3.88 5.36 0.17 -0.46 117.98 130.59 2wag s PHE 75 Ca -0.03 0.25 -0.29 0.00 -0.96 0.00 0.00 56.93 55.90 2wag s PHE 75 Cb -0.14 -3.31 -0.10 0.00 -0.34 0.00 0.00 43.02 39.13 2wag s PHE 75 CO 0.03 -0.76 1.32 0.12 -1.46 0.00 0.00 175.22 174.47 2wag s PHE 76 N 2.88 3.01 -0.11 10.12 5.36 -0.18 -1.98 117.98 137.08 2wag s PHE 76 Ca 0.26 1.40 -0.03 0.00 -0.96 0.00 0.00 56.93 57.59 2wag s PHE 76 Cb -0.14 -3.71 -0.03 0.00 -0.34 0.00 0.00 43.02 38.80 2wag s PHE 76 CO 0.17 -1.95 0.01 0.45 -1.46 0.00 0.00 175.22 172.45 2wag s SER 77 N -0.47 5.27 0.00 6.13 0.15 -1.26 -4.77 113.70 118.75 2wag s SER 77 Ca 0.49 0.11 0.32 0.00 0.70 0.00 0.00 55.95 57.57 2wag s SER 77 Cb -0.40 -1.60 1.85 0.00 -1.71 0.00 0.00 66.02 64.15 2wag s SER 77 CO 0.54 0.33 2.20 0.49 1.20 0.00 0.00 173.24 177.99 2wag n PHE 78 N 2.50 0.00 -0.06 3.44 3.72 -1.26 -4.16 117.46 121.64 2wag n PHE 78 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 2wag n PHE 78 Cb 0.53 -0.04 0.01 0.00 -0.94 0.00 0.00 39.48 39.04 2wag n PHE 78 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2wag n ASP 79 N -1.04 1.98 -4.12 4.37 8.00 -1.26 -5.02 116.55 119.47 2wag n ASP 79 Ca 0.23 -2.03 -0.09 0.00 0.71 0.00 0.00 54.79 53.61 2wag n ASP 79 Cb 0.13 -0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 41.12 2wag n ASP 79 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2wag s SER 80 N -1.06 0.29 0.53 -2.24 1.04 -1.26 -5.09 113.70 105.92 2wag s SER 80 Ca 0.01 -1.14 -0.20 0.00 0.48 0.00 0.00 55.95 55.10 2wag s SER 80 Cb 0.01 0.30 -0.06 0.00 0.10 0.00 0.00 66.02 66.37 2wag s SER 80 CO 0.00 -0.73 1.14 -0.54 0.98 0.00 0.00 173.24 174.09 2wag s LYS 81 N -4.02 3.42 0.29 4.02 1.02 -1.26 -4.90 119.74 118.30 2wag s LYS 81 Ca 0.21 1.66 -0.02 0.00 0.02 0.00 0.00 55.97 57.84 2wag s LYS 81 Cb 0.07 -2.08 0.44 0.00 -0.52 0.00 0.00 37.83 35.74 2wag s LYS 81 CO 0.00 -0.81 1.93 0.78 -0.92 0.00 0.00 175.35 176.33 2wag h GLY 82 N 1.36 1.33 0.98 -3.33 0.00 -1.91 -1.86 103.07 99.64 2wag h GLY 82 Ca -0.50 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.36 2wag h GLY 82 CO 0.57 0.38 0.27 -2.09 0.00 0.00 0.00 176.54 175.67 2wag h GLU 83 N 1.14 0.80 -0.09 4.80 4.81 -1.89 0.42 114.58 124.57 2wag h GLU 83 Ca 0.37 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 59.33 2wag h GLU 83 Cb 0.04 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2wag h GLU 83 CO -0.12 0.66 -0.61 0.00 -0.73 0.00 0.00 179.01 178.21 2wag h THR 84 N 0.76 1.37 -0.54 0.32 1.03 -1.87 -1.24 112.91 112.74 2wag h THR 84 Ca 0.19 -1.96 -0.07 0.00 -0.01 0.00 0.00 66.41 64.57 2wag h THR 84 Cb 0.12 1.97 -0.02 0.00 -1.07 0.00 0.00 68.15 69.14 2wag h THR 84 CO -0.02 0.59 0.08 1.56 -0.01 0.00 0.00 175.52 177.71 2wag h GLN 85 N 0.24 0.90 -0.59 0.00 4.20 -0.99 -1.37 115.11 117.50 2wag h GLN 85 Ca -0.01 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 2wag h GLN 85 Cb 1.13 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 2wag h GLN 85 CO 0.10 0.88 0.28 0.00 -0.67 0.00 0.00 178.83 179.42 2wag h ALA 86 N 0.98 0.76 -0.44 3.87 0.00 -0.77 -1.85 119.26 121.81 2wag h ALA 86 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2wag h ALA 86 Cb 0.43 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2wag h ALA 86 CO 0.01 0.33 0.23 0.93 0.00 0.00 0.00 179.25 180.76 2wag h GLU 87 N 0.81 0.60 -0.19 0.00 5.08 -1.04 -0.31 114.58 119.53 2wag h GLU 87 Ca 0.20 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2wag h GLU 87 Cb 0.13 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wag h GLU 87 CO -0.02 0.45 -0.20 0.37 -1.00 0.00 0.00 179.01 178.60 2wag h GLN 88 N 0.61 0.46 -0.33 2.33 4.15 -0.77 -0.87 115.11 120.69 2wag h GLN 88 Ca 0.16 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2wag h GLN 88 Cb 0.03 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2wag h GLN 88 CO -0.03 0.83 0.22 0.35 -1.93 0.00 0.00 178.83 178.27 2wag h PHE 89 N 0.12 0.42 -0.77 3.99 3.57 -1.07 -2.90 116.94 120.31 2wag h PHE 89 Ca 0.03 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2wag h PHE 89 Cb 0.75 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 2wag h PHE 89 CO 0.08 0.27 0.47 0.82 -2.23 0.00 0.00 178.31 177.72 2wag h ILE 90 N 0.45 1.21 0.00 1.41 2.04 -0.97 -0.12 117.51 121.53 2wag h ILE 90 Ca 0.12 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2wag h ILE 90 Cb -0.05 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 2wag h ILE 90 CO -0.03 0.22 0.00 -2.11 0.00 0.00 0.00 178.15 176.23 2wag n ARG 91 N -4.39 0.67 -0.03 2.37 1.85 -0.34 -3.52 116.66 113.28 2wag n ARG 91 Ca 0.08 0.01 -0.03 0.00 -1.00 0.00 0.00 57.85 56.91 2wag n ARG 91 Cb 0.06 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.92 2wag n ARG 91 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2wag n ASN 92 N -1.14 3.25 -4.30 2.89 3.02 -0.71 -5.00 115.26 113.27 2wag n ASN 92 Ca 0.18 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.36 2wag n ASN 92 Cb 0.16 0.74 -0.13 0.00 -0.61 0.00 0.00 39.78 39.94 2wag n ASN 92 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wag s VAL 93 N -2.21 3.70 0.70 2.41 1.01 -0.14 -5.05 120.40 120.83 2wag s VAL 93 Ca -0.03 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 2wag s VAL 93 Cb 0.02 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.48 2wag s VAL 93 CO 0.29 0.05 1.11 -2.16 0.00 0.00 0.00 175.10 174.39 2wag s PRO 94 N 1.44 2.57 -0.38 2.72 0.04 -1.26 -4.78 135.00 135.35 2wag s PRO 94 Ca 0.01 1.34 -0.24 0.00 0.04 0.00 0.00 61.00 62.15 2wag s PRO 94 Cb -0.18 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.45 2wag s PRO 94 CO 0.01 -1.42 0.82 0.15 0.04 0.00 0.00 177.00 176.60 2wag s LYS 95 N -4.36 3.72 -0.08 4.56 1.02 -1.26 -5.03 119.74 118.31 2wag s LYS 95 Ca 0.65 0.31 0.05 0.00 0.02 0.00 0.00 55.97 57.00 2wag s LYS 95 Cb -0.20 -3.83 -0.01 0.00 -0.52 0.00 0.00 37.83 33.27 2wag s LYS 95 CO 0.47 -0.92 -0.23 0.71 -0.92 0.00 0.00 175.35 174.46 2wag s TYR 96 N 3.24 2.53 0.33 3.18 2.02 -1.26 -5.03 117.35 122.37 2wag s TYR 96 Ca 0.33 -0.77 0.02 0.00 -0.37 0.00 0.00 57.07 56.28 2wag s TYR 96 Cb -0.13 -1.66 0.61 0.00 -0.40 0.00 0.00 41.96 40.38 2wag s TYR 96 CO 0.18 -0.25 1.96 -0.22 -1.57 0.00 0.00 175.55 175.65 2wag h LYS 97 N 6.28 0.89 -0.00 -0.62 3.64 -1.96 -2.48 116.57 122.32 2wag h LYS 97 Ca -0.28 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2wag h LYS 97 Cb 1.20 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2wag h LYS 97 CO 0.48 0.59 -0.14 1.04 -2.27 0.00 0.00 179.45 179.15 2wag n GLN 98 N -4.46 0.49 -1.21 1.90 1.13 -1.26 -4.90 117.38 109.07 2wag n GLN 98 Ca 0.10 -0.17 -0.32 0.00 -1.94 0.00 0.00 57.00 54.68 2wag n GLN 98 Cb 0.15 -1.50 0.11 0.00 0.11 0.00 0.00 30.24 29.11 2wag n GLN 98 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wag s ALA 99 N -2.62 2.03 0.75 -1.58 0.00 -0.94 -4.70 121.76 114.69 2wag s ALA 99 Ca 0.24 0.54 -0.11 0.00 0.00 0.00 0.00 51.96 52.63 2wag s ALA 99 Cb 0.20 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.99 2wag s ALA 99 CO 0.51 -2.01 1.09 -0.51 0.00 0.00 0.00 175.76 174.84 2wag s LEU 100 N -5.80 3.08 0.82 0.00 1.43 -0.23 -4.94 118.68 113.04 2wag s LEU 100 Ca 0.66 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 55.46 2wag s LEU 100 Cb -0.22 -4.52 0.09 0.00 0.03 0.00 0.00 46.19 41.57 2wag s LEU 100 CO 0.52 -1.93 1.18 -2.84 0.23 0.00 0.00 176.35 173.51 2wag s PRO 101 N -4.83 1.61 0.55 1.29 0.02 -1.26 -4.67 135.00 127.72 2wag s PRO 101 Ca 0.61 1.65 -0.20 0.00 0.02 0.00 0.00 61.00 63.08 2wag s PRO 101 Cb -0.17 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 2wag s PRO 101 CO 0.54 -2.21 1.18 -1.25 -0.33 0.00 0.00 177.00 174.94 2wag s PRO 102 N -4.30 3.26 -0.06 5.54 0.04 -1.26 -4.57 135.00 133.64 2wag s PRO 102 Ca 0.70 1.76 0.04 0.00 0.04 0.00 0.00 61.00 63.55 2wag s PRO 102 Cb -0.26 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 2wag s PRO 102 CO 0.52 -0.96 -0.19 0.08 0.04 0.00 0.00 177.00 176.49 2wag s VAL 103 N -1.63 2.62 -0.19 -0.36 1.01 -0.94 -1.30 120.40 119.61 2wag s VAL 103 Ca 0.73 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 2wag s VAL 103 Cb -0.28 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 2wag s VAL 103 CO 0.32 0.57 -0.05 -0.63 0.00 0.00 0.00 175.10 175.31 2wag s ILE 104 N -0.34 3.55 -0.35 2.22 1.01 -0.07 -0.97 121.20 126.24 2wag s ILE 104 Ca 0.02 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.08 2wag s ILE 104 Cb -0.12 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 2wag s ILE 104 CO 0.02 0.45 0.30 -0.62 0.00 0.00 0.00 174.94 175.10 2wag s ASP 105 N 0.96 6.11 -0.28 3.58 -1.08 0.39 -1.00 116.67 125.35 2wag s ASP 105 Ca -0.00 -0.44 -0.01 0.00 -0.52 0.00 0.00 52.55 51.58 2wag s ASP 105 Cb -0.15 -2.16 0.04 0.00 -1.46 0.00 0.00 42.92 39.19 2wag s ASP 105 CO 0.01 -0.32 -0.03 -0.69 0.52 0.00 0.00 175.17 174.66 2wag s VAL 106 N 1.83 2.86 0.18 1.11 1.01 0.12 -1.01 120.40 126.50 2wag s VAL 106 Ca 0.08 -1.30 -0.24 0.00 0.00 0.00 0.00 61.98 60.52 2wag s VAL 106 Cb -0.17 -2.59 0.06 0.00 0.00 0.00 0.00 36.38 33.67 2wag s VAL 106 CO 0.11 -0.00 0.76 -1.83 0.00 0.00 0.00 175.10 174.14 2wag s GLU 107 N 1.26 1.38 0.50 2.72 -1.05 -1.26 -3.78 118.70 118.47 2wag s GLU 107 Ca -0.04 -0.67 -0.20 0.00 -0.15 0.00 0.00 54.97 53.91 2wag s GLU 107 Cb -0.19 0.53 -0.08 0.00 -0.44 0.00 0.00 34.13 33.95 2wag s GLU 107 CO -0.03 -0.62 1.06 -0.06 0.95 0.00 0.00 175.26 176.56 2wag s PHE 108 N -3.62 2.91 0.29 4.83 0.08 -1.26 -5.00 117.98 116.20 2wag s PHE 108 Ca 0.08 1.57 -0.15 0.00 0.12 0.00 0.00 56.93 58.54 2wag s PHE 108 Cb -0.03 -3.12 0.01 0.00 -0.57 0.00 0.00 43.02 39.31 2wag s PHE 108 CO -0.02 -1.04 0.61 1.52 -0.10 0.00 0.00 175.22 176.19 2wag s TYR 109 N -1.94 0.21 0.00 0.36 -0.85 -1.26 -5.04 117.35 108.83 2wag s TYR 109 Ca 0.69 -0.64 0.00 0.00 -0.52 0.00 0.00 57.07 56.59 2wag s TYR 109 Cb -0.18 0.45 0.00 0.00 0.38 0.00 0.00 41.96 42.60 2wag s TYR 109 CO 0.22 -1.19 0.00 0.00 -1.52 0.00 0.00 175.55 173.06 2wag n ALA 110 N -0.45 0.00 -0.22 9.51 0.00 -1.26 -1.29 120.51 126.80 2wag n ALA 110 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.49 2wag n ALA 110 Cb 0.61 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.27 2wag n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wag n ASN 111 N 2.77 3.29 -0.28 0.00 5.03 -1.26 -4.73 115.26 120.08 2wag n ASN 111 Ca 0.00 -1.99 0.05 0.00 0.87 0.00 0.00 54.58 53.51 2wag n ASN 111 Cb 0.00 -0.32 0.19 0.00 -1.02 0.00 0.00 39.78 38.63 2wag n ASN 111 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2wag h LYS 112 N 2.91 0.62 0.00 3.52 1.79 -1.55 -1.03 116.57 122.83 2wag h LYS 112 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2wag h LYS 112 Cb 0.83 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 2wag h LYS 112 CO 0.00 0.41 0.00 -0.22 -1.08 0.00 0.00 179.45 178.56 2wag h LYS 113 N 0.64 0.00 0.00 3.15 3.64 -1.85 -1.09 116.57 121.06 2wag h LYS 113 Ca 0.42 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.77 2wag h LYS 113 Cb 0.54 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2wag h LYS 113 CO -0.32 0.00 -0.17 -0.44 -2.27 0.00 0.00 179.45 176.24 2wag h ASP 114 N 0.00 0.00 -1.77 4.20 3.32 -1.55 -3.35 116.42 117.27 2wag h ASP 114 Ca 0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 2wag h ASP 114 Cb 0.31 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 39.55 2wag h ASP 114 CO 0.00 0.17 -0.85 -3.20 -1.72 0.00 0.00 179.24 173.65 2wag n ASN 115 N -3.77 -1.29 -4.77 6.45 5.15 -0.42 -5.13 115.26 111.48 2wag n ASN 115 Ca -0.02 -2.64 -0.41 0.00 -0.60 0.00 0.00 54.58 50.91 2wag n ASN 115 Cb 0.28 0.19 -0.01 0.00 -0.53 0.00 0.00 39.78 39.71 2wag n ASN 115 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2wag s PRO 116 N 0.08 4.11 0.71 1.20 0.02 -1.15 -4.93 135.00 135.05 2wag s PRO 116 Ca 0.33 2.58 -0.16 0.00 0.02 0.00 0.00 61.00 63.77 2wag s PRO 116 Cb 0.07 -2.99 -0.00 0.00 0.02 0.00 0.00 34.50 31.60 2wag s PRO 116 CO -0.15 -0.59 0.92 -2.30 -0.33 0.00 0.00 177.00 174.55 2wag n PRO 117 N 1.28 0.51 -2.55 5.54 -0.02 -1.26 -4.95 135.00 133.54 2wag n PRO 117 Ca 0.04 0.23 -0.39 0.00 -2.02 0.00 0.00 63.50 61.36 2wag n PRO 117 Cb 0.38 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 2wag n PRO 117 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wag s LYS 118 N -3.23 4.56 0.26 -0.52 -0.14 -1.26 -4.94 119.74 114.46 2wag s LYS 118 Ca 0.73 1.66 -0.01 0.00 -1.36 0.00 0.00 55.97 56.98 2wag s LYS 118 Cb -0.35 -3.03 0.50 0.00 -1.68 0.00 0.00 37.83 33.27 2wag s LYS 118 CO 0.51 0.18 1.78 -0.09 -0.76 0.00 0.00 175.35 176.97 2wag h ARG 119 N 3.53 0.70 -0.89 1.68 2.43 -1.92 -1.61 114.38 118.29 2wag h ARG 119 Ca -0.47 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 58.76 2wag h ARG 119 Cb 1.21 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.53 2wag h ARG 119 CO 0.66 0.46 0.53 1.49 -1.51 0.00 0.00 179.97 181.60 2wag h GLU 120 N 0.72 0.85 -0.09 0.20 4.81 -1.95 0.49 114.58 119.61 2wag h GLU 120 Ca 0.45 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.48 2wag h GLU 120 Cb 0.56 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2wag h GLU 120 CO -0.32 0.57 -0.59 -0.44 -0.73 0.00 0.00 179.01 177.50 2wag h ASP 121 N 0.88 0.33 -0.20 1.04 3.32 -1.69 -1.83 116.42 118.28 2wag h ASP 121 Ca 0.43 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 2wag h ASP 121 Cb 0.38 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 2wag h ASP 121 CO -0.25 0.85 -0.20 0.58 -1.72 0.00 0.00 179.24 178.50 2wag h VAL 122 N 0.22 1.33 -0.76 -1.35 2.07 -1.02 -3.02 116.25 113.72 2wag h VAL 122 Ca -0.00 -1.37 0.08 0.00 0.82 0.00 0.00 66.70 66.22 2wag h VAL 122 Cb 1.10 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 32.57 2wag h VAL 122 CO 0.09 0.42 0.43 0.74 0.02 0.00 0.00 177.57 179.27 2wag h THR 123 N 0.16 0.94 0.05 2.57 2.02 -0.79 0.85 112.91 118.70 2wag h THR 123 Ca 0.03 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2wag h THR 123 Cb 0.75 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2wag h THR 123 CO 0.05 0.14 -0.06 0.11 0.37 0.00 0.00 175.52 176.13 2wag h LYS 124 N 0.76 -0.12 0.22 6.66 1.57 -1.32 -1.52 116.57 122.82 2wag h LYS 124 Ca 0.35 0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 58.84 2wag h LYS 124 Cb 0.28 0.03 0.04 0.00 0.08 0.00 0.00 32.23 32.65 2wag h LYS 124 CO -0.22 -0.08 -1.34 0.93 -0.57 0.00 0.00 179.45 178.17 2wag h GLU 125 N -0.13 0.52 -0.41 3.15 4.39 -1.35 -2.92 114.58 117.83 2wag h GLU 125 Ca 0.01 -0.85 -0.07 0.00 0.34 0.00 0.00 59.36 58.79 2wag h GLU 125 Cb 0.13 0.31 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 2wag h GLU 125 CO -0.03 1.40 -0.03 1.25 -1.16 0.00 0.00 179.01 180.45 2wag h LEU 126 N 0.08 0.65 -0.81 1.33 5.85 -0.89 -2.11 115.31 119.40 2wag h LEU 126 Ca -0.23 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.25 2wag h LEU 126 Cb 2.05 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.89 2wag h LEU 126 CO 0.25 0.75 -0.01 0.28 -0.34 0.00 0.00 178.44 179.37 2wag h SER 127 N 0.64 0.86 -0.43 1.25 0.02 -1.30 -0.42 113.55 114.17 2wag h SER 127 Ca 0.12 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2wag h SER 127 Cb 0.45 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2wag h SER 127 CO 0.02 0.92 0.23 0.58 -1.14 0.00 0.00 176.83 177.44 2wag h VAL 128 N 0.82 1.16 -0.20 2.27 2.07 -1.30 -1.45 116.25 119.62 2wag h VAL 128 Ca 0.15 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.27 2wag h VAL 128 Cb 0.50 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2wag h VAL 128 CO 0.02 0.17 0.07 0.24 0.02 0.00 0.00 177.57 178.09 2wag h MET 129 N 0.55 0.16 -0.31 1.57 2.07 -0.91 -1.37 114.93 116.69 2wag h MET 129 Ca 0.15 -0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.80 2wag h MET 129 Cb 0.07 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 29.73 2wag h MET 129 CO -0.02 0.10 0.13 0.82 1.07 0.00 0.00 176.91 179.01 2wag h ILE 130 N 0.16 0.95 -0.50 -1.22 2.04 -0.99 0.15 117.51 118.10 2wag h ILE 130 Ca 0.08 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2wag h ILE 130 Cb 0.05 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 2wag h ILE 130 CO -0.09 0.05 0.26 -0.08 0.00 0.00 0.00 178.15 178.30 2wag h GLU 131 N 0.28 0.50 -0.41 2.37 4.81 -0.99 0.52 114.58 121.67 2wag h GLU 131 Ca 0.13 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 2wag h GLU 131 Cb 0.08 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2wag h GLU 131 CO -0.11 0.33 -0.35 0.52 -0.73 0.00 0.00 179.01 178.67 2wag h MET 132 N 0.52 0.96 -0.28 1.92 2.86 -0.92 -2.06 114.93 117.92 2wag h MET 132 Ca 0.22 -0.48 -0.08 0.00 -2.06 0.00 0.00 59.70 57.29 2wag h MET 132 Cb 0.11 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2wag h MET 132 CO -0.14 1.15 -0.16 -0.07 1.06 0.00 0.00 176.91 178.75 2wag h LEU 133 N 0.79 0.62 -0.66 1.22 3.38 -0.73 -1.33 115.31 118.61 2wag h LEU 133 Ca 0.07 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2wag h LEU 133 Cb 0.94 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2wag h LEU 133 CO 0.09 0.90 0.28 -0.08 0.09 0.00 0.00 178.44 179.73 2wag h GLU 134 N 0.33 0.97 -0.36 1.13 4.81 -0.89 -1.23 114.58 119.34 2wag h GLU 134 Ca 0.06 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 2wag h GLU 134 Cb 0.68 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2wag h GLU 134 CO 0.05 0.80 0.06 -0.22 -0.73 0.00 0.00 179.01 178.96 2wag h LYS 135 N 0.92 0.60 -0.18 1.92 3.64 -1.33 0.34 116.57 122.47 2wag h LYS 135 Ca 0.22 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 2wag h LYS 135 Cb 0.17 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2wag h LYS 135 CO -0.02 0.67 -0.14 1.25 -2.27 0.00 0.00 179.45 178.94 2wag h HIS 136 N 0.44 0.49 0.00 1.91 2.76 -0.96 -3.28 115.15 116.51 2wag h HIS 136 Ca 0.11 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2wag h HIS 136 Cb 0.36 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.21 2wag h HIS 136 CO 0.02 0.75 -0.90 0.66 -1.30 0.00 0.00 177.93 177.16 2wag n TYR 137 N -4.53 0.53 -1.67 5.26 4.01 -0.49 -4.97 117.16 115.30 2wag n TYR 137 Ca -0.05 0.15 -0.08 0.00 -0.16 0.00 0.00 57.90 57.76 2wag n TYR 137 Cb 0.35 -0.64 -0.02 0.00 -0.31 0.00 0.00 39.34 38.72 2wag n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wag n GLY 138 N 1.31 0.55 3.07 2.72 0.00 0.11 -5.01 105.19 107.95 2wag n GLY 138 Ca 0.02 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 2wag n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wag s LYS 139 N -3.50 0.65 0.18 1.61 1.02 -1.22 -5.03 119.74 113.45 2wag s LYS 139 Ca 0.00 -0.66 -0.32 0.00 0.02 0.00 0.00 55.97 55.01 2wag s LYS 139 Cb 0.00 -0.54 -0.11 0.00 -0.52 0.00 0.00 37.83 36.66 2wag s LYS 139 CO 0.00 0.12 1.67 0.21 -0.92 0.00 0.00 175.35 176.44 2wag s LYS 140 N -1.19 4.16 0.30 1.68 2.20 -1.26 -4.34 119.74 121.29 2wag s LYS 140 Ca -0.04 2.52 -0.27 0.00 -0.36 0.00 0.00 55.97 57.81 2wag s LYS 140 Cb -0.08 -3.15 -0.09 0.00 -1.51 0.00 0.00 37.83 33.00 2wag s LYS 140 CO 0.01 -0.71 0.99 0.08 -0.36 0.00 0.00 175.35 175.36 2wag s VAL 141 N 1.30 3.94 -0.15 4.02 1.01 -1.26 -4.61 120.40 124.63 2wag s VAL 141 Ca 0.73 1.74 -0.10 0.00 0.00 0.00 0.00 61.98 64.36 2wag s VAL 141 Cb -0.47 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 2wag s VAL 141 CO 0.32 0.26 0.18 -0.63 0.00 0.00 0.00 175.10 175.23 2wag s ILE 142 N -1.41 5.40 -0.24 2.22 1.01 -0.42 -1.62 121.20 126.14 2wag s ILE 142 Ca 0.48 0.31 -0.07 0.00 0.00 0.00 0.00 60.65 61.36 2wag s ILE 142 Cb -0.24 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 2wag s ILE 142 CO 0.30 0.50 0.07 -0.76 0.00 0.00 0.00 174.94 175.05 2wag s LEU 143 N -0.15 3.50 -0.01 2.97 1.43 0.29 -0.90 118.68 125.81 2wag s LEU 143 Ca 0.13 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 52.92 2wag s LEU 143 Cb -0.12 -1.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 2wag s LEU 143 CO 0.02 -0.00 0.41 -0.47 0.23 0.00 0.00 176.35 176.54 2wag s TYR 144 N 1.42 3.70 0.02 0.29 5.04 -0.17 -0.50 117.35 127.16 2wag s TYR 144 Ca 0.05 0.97 -0.14 0.00 -2.44 0.00 0.00 57.07 55.52 2wag s TYR 144 Cb -0.15 -2.31 0.02 0.00 0.35 0.00 0.00 41.96 39.87 2wag s TYR 144 CO 0.04 0.59 0.30 0.00 -1.34 0.00 0.00 175.55 175.14 2wag s ALA 145 N -0.89 -0.69 0.74 3.97 0.00 -0.60 -0.70 121.76 123.59 2wag s ALA 145 Ca 0.24 0.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 2wag s ALA 145 Cb -0.16 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.22 2wag s ALA 145 CO 0.13 -0.35 1.12 0.95 0.00 0.00 0.00 175.76 177.60 2wag s THR 146 N -2.10 3.07 0.19 0.00 -4.23 -1.25 -2.00 115.64 109.31 2wag s THR 146 Ca -0.08 0.35 -0.13 0.00 -1.18 0.00 0.00 61.69 60.65 2wag s THR 146 Cb -0.02 -3.31 0.10 0.00 1.34 0.00 0.00 72.50 70.60 2wag s THR 146 CO -0.01 -0.45 1.73 -0.61 -0.54 0.00 0.00 174.62 174.75 2wag h GLN 147 N -0.81 0.30 -0.48 3.99 -0.00 -1.97 0.24 115.11 116.38 2wag h GLN 147 Ca -0.46 -0.02 -0.07 0.00 -0.00 0.00 0.00 58.65 58.11 2wag h GLN 147 Cb 1.27 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.67 2wag h GLN 147 CO 0.64 0.20 0.03 0.93 0.00 0.00 0.00 178.83 180.63 2wag h GLU 148 N 0.31 0.82 -0.40 1.69 5.08 -1.96 0.05 114.58 120.17 2wag h GLU 148 Ca 0.25 -0.24 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2wag h GLU 148 Cb 0.30 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2wag h GLU 148 CO -0.28 0.85 -0.27 0.00 -1.00 0.00 0.00 179.01 178.31 2wag h ALA 149 N 0.94 0.77 -0.01 3.43 0.00 -1.80 -2.19 119.26 120.39 2wag h ALA 149 Ca 0.14 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2wag h ALA 149 Cb 0.46 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2wag h ALA 149 CO 0.02 0.65 -0.01 -0.92 0.00 0.00 0.00 179.25 178.99 2wag h TYR 150 N 0.72 -0.03 -0.13 0.00 3.20 -0.29 -0.42 116.97 120.01 2wag h TYR 150 Ca 0.09 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 2wag h TYR 150 Cb 0.82 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 2wag h TYR 150 CO 0.05 -0.02 -0.11 -0.44 -1.64 0.00 0.00 178.16 175.99 2wag h ASP 151 N -0.02 0.19 0.78 -2.11 3.32 -0.84 0.14 116.42 117.87 2wag h ASP 151 Ca 0.01 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2wag h ASP 151 Cb 0.03 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2wag h ASP 151 CO -0.02 0.33 -1.16 0.18 -1.72 0.00 0.00 179.24 176.84 2wag n LEU 152 N -4.31 0.68 0.00 1.55 4.77 -0.84 -4.57 117.00 114.28 2wag n LEU 152 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2wag n LEU 152 Cb 0.24 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2wag n LEU 152 CO 0.37 -0.13 -0.19 -1.22 -1.33 0.00 0.00 177.39 174.89 2wag n TYR 153 N -2.53 0.00 -0.05 -1.77 4.01 -0.18 -4.69 117.16 111.95 2wag n TYR 153 Ca -0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 2wag n TYR 153 Cb 0.54 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.49 2wag n TYR 153 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 2wag n ILE 154 N -1.03 0.63 -1.67 -0.72 5.41 -0.20 -4.91 119.36 116.87 2wag n ILE 154 Ca 0.00 -0.42 -0.41 0.00 1.00 0.00 0.00 62.75 62.92 2wag n ILE 154 Cb 0.17 -0.62 0.01 0.00 -0.71 0.00 0.00 39.64 38.50 2wag n ILE 154 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2wag n LYS 155 N -2.33 1.72 -3.85 0.38 4.81 0.32 -2.46 118.16 116.75 2wag n LYS 155 Ca -0.15 0.61 -0.29 0.00 -0.87 0.00 0.00 58.31 57.61 2wag n LYS 155 Cb 0.77 -2.26 0.04 0.00 0.02 0.00 0.00 35.03 33.60 2wag n LYS 155 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wag n ASP 156 N 0.31 -5.06 -3.20 3.14 8.00 -1.26 -4.93 116.55 113.55 2wag n ASP 156 Ca 0.08 -0.73 -0.06 0.00 0.71 0.00 0.00 54.79 54.78 2wag n ASP 156 Cb 0.39 -4.12 0.02 0.00 -0.02 0.00 0.00 41.12 37.39 2wag n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wag s ALA 157 N -3.31 -1.14 -1.37 2.24 0.00 -1.03 -5.02 121.76 112.13 2wag s ALA 157 Ca 0.64 -0.52 -0.09 0.00 0.00 0.00 0.00 51.96 51.99 2wag s ALA 157 Cb -0.31 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.53 2wag s ALA 157 CO 0.81 -1.02 0.41 0.66 0.00 0.00 0.00 175.76 176.62 2wag n TYR 158 N -0.58 -1.54 0.31 0.00 4.01 -1.26 -4.84 117.16 113.26 2wag n TYR 158 Ca -0.06 0.55 0.14 0.00 -0.16 0.00 0.00 57.90 58.37 2wag n TYR 158 Cb 0.60 -3.28 0.65 0.00 -0.31 0.00 0.00 39.34 37.00 2wag n TYR 158 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2wag h PRO 159 N -1.97 0.00 -0.00 -0.72 0.13 -1.95 -2.42 132.00 125.07 2wag h PRO 159 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2wag h PRO 159 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2wag h PRO 159 CO 0.61 0.00 -0.00 0.00 -0.23 0.00 0.00 178.00 178.37 2wag n GLN 160 N -2.56 0.97 -4.39 0.86 0.00 -1.26 -4.85 117.38 106.15 2wag n GLN 160 Ca 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 57.00 56.70 2wag n GLN 160 Cb 0.19 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 28.84 2wag n GLN 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wag s ASP 162 N -3.63 6.40 -0.15 0.00 1.01 -0.64 -4.94 116.67 114.72 2wag s ASP 162 Ca 0.32 0.42 -0.04 0.00 0.71 0.00 0.00 52.55 53.96 2wag s ASP 162 Cb -0.03 -2.02 -0.03 0.00 1.01 0.00 0.00 42.92 41.85 2wag s ASP 162 CO 0.18 -0.00 -0.01 -0.63 0.21 0.00 0.00 175.17 174.92 2wag s ILE 163 N -1.79 4.18 -0.29 0.77 -1.09 -1.26 -0.55 121.20 121.17 2wag s ILE 163 Ca 0.38 -0.26 -0.02 0.00 -2.23 0.00 0.00 60.65 58.53 2wag s ILE 163 Cb -0.11 -2.83 0.05 0.00 -1.58 0.00 0.00 42.46 37.98 2wag s ILE 163 CO 0.28 0.51 -0.01 0.86 -1.23 0.00 0.00 174.94 175.35 2wag s TRP 164 N 0.09 3.23 -0.11 3.97 -0.00 0.35 -0.47 118.94 125.99 2wag s TRP 164 Ca 0.01 -1.83 -0.03 0.00 -0.00 0.00 0.00 56.10 54.25 2wag s TRP 164 Cb -0.13 -2.09 -0.03 0.00 -0.00 0.00 0.00 33.47 31.21 2wag s TRP 164 CO 0.02 -0.79 0.02 -1.50 -0.00 0.00 0.00 176.95 174.69 2wag s ILE 165 N 1.26 4.43 -0.10 5.86 1.10 -0.43 -1.56 121.20 131.76 2wag s ILE 165 Ca -0.05 -0.19 -0.26 0.00 -0.51 0.00 0.00 60.65 59.65 2wag s ILE 165 Cb -0.19 -2.90 -0.03 0.00 0.15 0.00 0.00 42.46 39.49 2wag s ILE 165 CO -0.02 0.57 0.82 -0.60 -2.11 0.00 0.00 174.94 173.60 2wag s ARG 166 N -0.51 4.40 -0.42 3.50 3.52 -0.85 -0.83 118.95 127.76 2wag s ARG 166 Ca 0.09 1.05 0.05 0.00 -0.13 0.00 0.00 55.73 56.79 2wag s ARG 166 Cb -0.12 -3.50 0.17 0.00 -1.56 0.00 0.00 34.95 29.94 2wag s ARG 166 CO 0.02 -0.13 0.46 0.45 -0.81 0.00 0.00 175.30 175.30 2wag s SER 167 N 0.99 0.48 0.00 -2.12 0.15 -0.02 -4.29 113.70 108.90 2wag s SER 167 Ca 0.41 -2.03 0.26 0.00 0.70 0.00 0.00 55.95 55.29 2wag s SER 167 Cb -0.18 0.66 0.57 0.00 -1.71 0.00 0.00 66.02 65.36 2wag s SER 167 CO 0.18 -0.18 1.46 1.33 1.20 0.00 0.00 173.24 177.23 2wag n VAL 168 N 3.52 0.00 0.00 4.45 0.24 -1.25 -4.22 118.33 121.06 2wag n VAL 168 Ca 0.18 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 2wag n VAL 168 Cb 0.49 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 2wag n VAL 168 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2wag n LEU 169 N 0.20 0.00 -4.13 1.34 4.77 -1.26 -4.76 117.00 113.16 2wag n LEU 169 Ca 0.14 -0.34 -0.11 0.00 -0.03 0.00 0.00 56.01 55.67 2wag n LEU 169 Cb 0.43 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 2wag n LEU 169 CO 0.21 0.00 -0.14 0.42 -1.33 0.00 0.00 177.39 176.54 2wag s THR 170 N -1.13 0.02 0.68 -5.08 -4.23 -1.26 -5.14 115.64 99.51 2wag s THR 170 Ca 0.00 -1.81 -0.17 0.00 -1.18 0.00 0.00 61.69 58.53 2wag s THR 170 Cb 0.00 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.54 2wag s THR 170 CO 0.00 -0.10 1.27 -0.54 -0.54 0.00 0.00 174.62 174.72 2wag s LYS 171 N -4.10 2.34 0.20 3.99 1.02 -1.26 -4.84 119.74 117.10 2wag s LYS 171 Ca 0.32 1.99 -0.30 0.00 0.02 0.00 0.00 55.97 58.00 2wag s LYS 171 Cb 0.05 -1.83 -0.08 0.00 -0.52 0.00 0.00 37.83 35.45 2wag s LYS 171 CO 0.09 -1.74 0.94 -1.25 -0.92 0.00 0.00 175.35 172.47 2wag s PRO 172 N -3.56 4.80 -0.01 -1.68 0.04 -1.26 -5.03 135.00 128.31 2wag s PRO 172 Ca 0.80 1.47 -0.18 0.00 0.04 0.00 0.00 61.00 63.13 2wag s PRO 172 Cb -0.35 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 30.91 2wag s PRO 172 CO 0.42 0.44 0.38 0.45 0.04 0.00 0.00 177.00 178.73 2wag s SER 173 N -0.85 -0.28 -0.04 6.66 0.15 -1.26 -5.08 113.70 113.00 2wag s SER 173 Ca 0.42 0.17 0.05 0.00 0.70 0.00 0.00 55.95 57.29 2wag s SER 173 Cb -0.25 0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 64.40 2wag s SER 173 CO 0.31 -0.51 -0.18 -0.76 1.20 0.00 0.00 173.24 173.31 2wag s LEU 174 N -1.42 2.54 0.56 3.45 1.43 -1.26 -5.04 118.68 118.93 2wag s LEU 174 Ca -0.12 -0.28 0.34 0.00 -1.03 0.00 0.00 54.13 53.05 2wag s LEU 174 Cb -0.04 -1.49 1.53 0.00 0.03 0.00 0.00 46.19 46.22 2wag s LEU 174 CO 0.04 0.34 2.05 0.77 0.23 0.00 0.00 176.35 179.77 2wag h SER 175 N 5.41 0.00 -0.56 2.29 4.64 -1.98 -0.37 113.55 122.99 2wag h SER 175 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2wag h SER 175 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2wag h SER 175 CO 0.49 0.03 0.00 -0.90 -0.87 0.00 0.00 176.83 175.58 2wag n ASP 176 N -3.16 3.51 -0.50 4.97 5.75 -1.26 -4.94 116.55 120.93 2wag n ASP 176 Ca -0.00 -2.17 -0.07 0.00 -0.01 0.00 0.00 54.79 52.54 2wag n ASP 176 Cb 0.27 -0.45 -0.03 0.00 -1.03 0.00 0.00 41.12 39.88 2wag n ASP 176 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2wag n GLU 177 N 1.05 -1.14 -2.02 0.11 1.02 -0.15 -4.99 120.64 114.52 2wag n GLU 177 Ca 0.20 0.64 -0.37 0.00 -0.02 0.00 0.00 57.16 57.61 2wag n GLU 177 Cb 0.61 -4.67 0.02 0.00 -0.02 0.00 0.00 31.44 27.38 2wag n GLU 177 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2wag s ARG 178 N -2.20 3.37 0.15 3.49 3.52 -1.26 -4.96 118.95 121.06 2wag s ARG 178 Ca 0.00 1.98 -0.29 0.00 -0.13 0.00 0.00 55.73 57.29 2wag s ARG 178 Cb 0.00 -2.27 -0.07 0.00 -1.56 0.00 0.00 34.95 31.05 2wag s ARG 178 CO 0.00 -0.93 0.93 0.15 -0.81 0.00 0.00 175.30 174.64 2wag s LYS 179 N -2.89 4.73 0.39 5.12 1.02 -1.26 -4.38 119.74 122.47 2wag s LYS 179 Ca 0.69 1.42 -0.05 0.00 0.02 0.00 0.00 55.97 58.05 2wag s LYS 179 Cb -0.34 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 2wag s LYS 179 CO 0.40 0.35 0.68 1.67 -0.92 0.00 0.00 175.35 177.53 2wag s TRP 180 N -0.49 3.51 -0.17 3.18 1.48 -1.26 -4.70 118.94 120.49 2wag s TRP 180 Ca 0.44 0.73 0.03 0.00 -1.06 0.00 0.00 56.10 56.24 2wag s TRP 180 Cb -0.24 -2.20 -0.12 0.00 -1.16 0.00 0.00 33.47 29.74 2wag s TRP 180 CO 0.30 -0.06 -0.12 2.41 -4.06 0.00 0.00 176.95 175.42 2wag n THR 181 N -1.66 0.98 -4.24 0.66 -1.04 0.37 -4.75 114.28 104.62 2wag n THR 181 Ca -0.01 -0.42 -0.19 0.00 -2.04 0.00 0.00 64.05 61.40 2wag n THR 181 Cb 0.55 -1.03 -0.12 0.00 -1.82 0.00 0.00 70.33 67.91 2wag n THR 181 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2wag s PHE 182 N -2.34 1.44 -0.10 -1.42 0.08 -0.97 -1.08 117.98 113.59 2wag s PHE 182 Ca -0.20 -0.50 -0.01 0.00 0.12 0.00 0.00 56.93 56.33 2wag s PHE 182 Cb 0.06 -0.77 0.03 0.00 -0.57 0.00 0.00 43.02 41.77 2wag s PHE 182 CO 0.43 0.15 -0.02 -0.46 -0.10 0.00 0.00 175.22 175.22 2wag s TRP 183 N -1.76 0.97 -0.38 0.36 -0.00 0.00 -1.31 118.94 116.82 2wag s TRP 183 Ca 0.06 -0.43 -0.24 0.00 -0.00 0.00 0.00 56.10 55.49 2wag s TRP 183 Cb -0.07 -0.96 0.01 0.00 -0.00 0.00 0.00 33.47 32.45 2wag s TRP 183 CO 0.03 -0.42 0.85 -1.14 -0.00 0.00 0.00 176.95 176.28 2wag s GLN 184 N 1.88 3.74 -0.00 5.86 0.74 -0.01 -0.69 119.66 131.16 2wag s GLN 184 Ca 0.04 0.37 0.16 0.00 0.05 0.00 0.00 55.36 55.98 2wag s GLN 184 Cb -0.13 -3.83 -0.19 0.00 1.10 0.00 0.00 33.01 29.96 2wag s GLN 184 CO -0.06 -0.94 0.62 2.48 -0.55 0.00 0.00 175.29 176.83 2wag n TYR 185 N 6.65 0.00 -3.55 1.67 0.18 -0.48 -0.84 117.16 120.79 2wag n TYR 185 Ca 0.05 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.68 2wag n TYR 185 Cb 0.48 -0.07 -0.05 0.00 -0.38 0.00 0.00 39.34 39.31 2wag n TYR 185 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 2wag s THR 186 N -2.63 0.02 -1.24 -3.48 -1.32 -1.21 -4.34 115.64 101.44 2wag s THR 186 Ca 0.04 -0.15 0.12 0.00 -1.21 0.00 0.00 61.69 60.48 2wag s THR 186 Cb 0.12 -0.96 0.24 0.00 -1.51 0.00 0.00 72.50 70.38 2wag s THR 186 CO 0.66 -0.08 1.12 0.59 -2.21 0.00 0.00 174.62 174.70 2wag n ASN 187 N 0.54 2.61 -3.70 8.08 3.02 -1.26 -1.62 115.26 122.93 2wag n ASN 187 Ca -0.19 -1.80 -0.11 0.00 -0.03 0.00 0.00 54.58 52.46 2wag n ASN 187 Cb 0.59 -0.15 -0.11 0.00 -0.61 0.00 0.00 39.78 39.50 2wag n ASN 187 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2wag s ARG 188 N -1.01 0.33 0.07 3.52 3.52 -1.23 -3.11 118.95 121.04 2wag s ARG 188 Ca 0.21 0.74 0.05 0.00 -0.13 0.00 0.00 55.73 56.60 2wag s ARG 188 Cb 0.12 -0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.45 2wag s ARG 188 CO 0.17 -0.17 -0.15 0.20 -0.81 0.00 0.00 175.30 174.54 2wag s GLY 189 N 1.48 0.90 -0.70 8.12 0.00 -0.59 -4.87 107.32 111.65 2wag s GLY 189 Ca -0.09 -1.01 -0.21 0.00 0.00 0.00 0.00 44.72 43.41 2wag s GLY 189 CO -0.12 -1.03 0.94 1.25 0.00 0.00 0.00 173.10 174.14 2wag s LYS 190 N -1.72 3.19 0.28 2.90 2.47 -1.26 -0.64 119.74 124.96 2wag s LYS 190 Ca -0.01 -1.10 -0.28 0.00 -1.56 0.00 0.00 55.97 53.02 2wag s LYS 190 Cb -0.10 -4.36 -0.09 0.00 -1.46 0.00 0.00 37.83 31.82 2wag s LYS 190 CO 0.02 -1.76 0.96 -0.51 0.16 0.00 0.00 175.35 174.23 2wag s LEU 191 N 3.54 4.51 0.00 5.43 1.43 -0.40 -4.95 118.68 128.25 2wag s LEU 191 Ca 0.22 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 2wag s LEU 191 Cb -0.16 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.29 2wag s LEU 191 CO 0.06 0.03 0.00 -1.54 0.23 0.00 0.00 176.35 175.13 2wag n SER 192 N 1.08 0.00 -0.27 2.29 3.41 -1.26 -2.70 113.62 116.16 2wag n SER 192 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wag n SER 192 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2wag n SER 192 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wag n GLY 193 N 5.00 -1.45 0.25 5.00 0.00 -1.26 -3.79 105.19 108.95 2wag n GLY 193 Ca 0.00 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 2wag n GLY 193 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2wag h TYR 194 N 0.00 0.96 -0.47 1.61 -0.00 -1.96 -1.06 116.97 116.05 2wag h TYR 194 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 58.73 58.52 2wag h TYR 194 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 36.73 36.49 2wag h TYR 194 CO 0.00 0.96 0.00 -1.71 -0.00 0.00 0.00 178.16 177.41 2wag n ASN 195 N -4.27 4.60 -4.69 0.10 4.05 -1.26 -4.94 115.26 108.84 2wag n ASN 195 Ca -0.00 -2.66 -0.44 0.00 0.45 0.00 0.00 54.58 51.93 2wag n ASN 195 Cb 0.38 -0.62 -0.04 0.00 1.23 0.00 0.00 39.78 40.73 2wag n ASN 195 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wag n GLY 196 N 0.60 1.44 3.82 8.20 0.00 -0.40 -4.96 105.19 113.90 2wag n GLY 196 Ca 0.22 0.67 -0.08 0.00 0.00 0.00 0.00 46.02 46.83 2wag n GLY 196 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wag s LYS 197 N 1.72 2.06 0.10 1.61 -2.85 -1.10 -4.92 119.74 116.37 2wag s LYS 197 Ca 0.79 -1.29 -0.31 0.00 -1.00 0.00 0.00 55.97 54.16 2wag s LYS 197 Cb -0.57 0.60 -0.08 0.00 -2.06 0.00 0.00 37.83 35.72 2wag s LYS 197 CO 0.37 -0.96 1.51 -1.21 0.10 0.00 0.00 175.35 175.16 2wag s GLU 198 N -2.64 4.25 0.02 1.78 0.41 -1.26 -1.28 118.70 119.98 2wag s GLU 198 Ca 0.15 2.21 0.03 0.00 -0.41 0.00 0.00 54.97 56.95 2wag s GLU 198 Cb -0.05 -3.36 -0.01 0.00 -1.78 0.00 0.00 34.13 28.92 2wag s GLU 198 CO 0.10 -0.58 -0.10 0.21 -0.49 0.00 0.00 175.26 174.40 2wag s LYS 199 N 1.71 0.72 -1.04 1.61 2.20 0.19 -4.95 119.74 120.19 2wag s LYS 199 Ca 0.68 -0.52 -0.22 0.00 -0.36 0.00 0.00 55.97 55.56 2wag s LYS 199 Cb -0.39 -0.67 0.06 0.00 -1.51 0.00 0.00 37.83 35.32 2wag s LYS 199 CO 0.30 0.17 1.45 0.71 -0.36 0.00 0.00 175.35 177.63 2wag s TYR 200 N -0.60 2.61 -0.03 4.03 2.02 -1.26 -1.54 117.35 122.57 2wag s TYR 200 Ca 0.00 -0.96 -0.01 0.00 -0.37 0.00 0.00 57.07 55.73 2wag s TYR 200 Cb -0.06 -4.67 0.03 0.00 -0.40 0.00 0.00 41.96 36.86 2wag s TYR 200 CO 0.00 -1.89 0.06 0.42 -1.57 0.00 0.00 175.55 172.57 2wag s ILE 201 N 4.71 -0.05 0.13 2.71 1.01 -1.18 -4.75 121.20 123.78 2wag s ILE 201 Ca 0.46 0.19 -0.30 0.00 0.00 0.00 0.00 60.65 61.00 2wag s ILE 201 Cb -0.00 -0.11 -0.07 0.00 0.01 0.00 0.00 42.46 42.29 2wag s ILE 201 CO -0.08 0.08 1.16 -1.81 0.00 0.00 0.00 174.94 174.28 2wag s ASP 202 N 1.01 7.16 0.08 3.58 1.01 -1.24 -3.57 116.67 124.70 2wag s ASP 202 Ca -0.08 2.08 0.08 0.00 0.71 0.00 0.00 52.55 55.34 2wag s ASP 202 Cb -0.12 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 2wag s ASP 202 CO -0.03 -0.35 -0.20 -0.76 0.21 0.00 0.00 175.17 174.04 2wag s LEU 203 N 0.25 2.57 0.04 1.23 1.43 -0.64 -2.42 118.68 121.13 2wag s LEU 203 Ca 0.54 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2wag s LEU 203 Cb -0.30 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 2wag s LEU 203 CO 0.33 0.22 0.01 0.20 0.23 0.00 0.00 176.35 177.33 2wag s ASN 204 N -1.76 0.34 0.12 2.29 0.01 0.22 -1.38 114.94 114.79 2wag s ASN 204 Ca 0.16 -0.76 0.09 0.00 -0.71 0.00 0.00 52.86 51.64 2wag s ASN 204 Cb -0.10 0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.71 2wag s ASN 204 CO 0.07 -0.51 -0.22 0.68 -1.51 0.00 0.00 177.10 175.61 2wag s VAL 205 N -3.02 1.87 0.44 1.60 -7.23 0.13 -1.39 120.40 112.81 2wag s VAL 205 Ca -0.01 -1.68 -0.15 0.00 -1.81 0.00 0.00 61.98 58.32 2wag s VAL 205 Cb 0.01 -1.73 -0.08 0.00 0.56 0.00 0.00 36.38 35.15 2wag s VAL 205 CO -0.07 -0.09 0.88 0.12 -0.31 0.00 0.00 175.10 175.64 2wag s PHE 206 N -1.34 3.42 0.20 2.82 5.36 -0.16 -0.82 117.98 127.47 2wag s PHE 206 Ca 0.10 1.33 0.17 0.00 -0.96 0.00 0.00 56.93 57.58 2wag s PHE 206 Cb -0.09 -2.66 0.64 0.00 -0.34 0.00 0.00 43.02 40.56 2wag s PHE 206 CO 0.05 -0.18 1.72 0.10 -1.46 0.00 0.00 175.22 175.45 2wag h TYR 207 N 1.37 0.00 -2.77 10.12 -0.00 -1.40 -3.43 116.97 120.87 2wag h TYR 207 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.26 2wag h TYR 207 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.91 2wag h TYR 207 CO 0.62 0.41 0.00 0.41 -0.00 0.00 0.00 178.16 179.61 2wag n GLY 208 N 0.18 5.03 3.96 0.10 0.00 -1.26 -4.92 105.19 108.28 2wag n GLY 208 Ca -0.01 -2.01 -0.20 0.00 0.00 0.00 0.00 46.02 43.80 2wag n GLY 208 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wag n ASN 209 N 0.00 2.15 -0.24 1.61 0.23 -1.26 -4.60 115.26 113.15 2wag n ASN 209 Ca 0.00 -2.56 -0.06 0.00 -0.53 0.00 0.00 54.58 51.42 2wag n ASN 209 Cb 0.00 -0.43 0.04 0.00 -2.08 0.00 0.00 39.78 37.32 2wag n ASN 209 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2wag h GLU 210 N 0.00 0.96 -0.31 -3.83 4.57 -1.99 -0.21 114.58 113.77 2wag h GLU 210 Ca -0.28 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 57.72 2wag h GLU 210 Cb 1.27 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 2wag h GLU 210 CO 0.39 0.77 0.05 1.49 -1.18 0.00 0.00 179.01 180.53 2wag h GLU 211 N 0.93 0.52 -0.88 1.92 4.81 -1.99 -0.07 114.58 119.81 2wag h GLU 211 Ca 0.23 -0.14 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2wag h GLU 211 Cb 0.12 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 2wag h GLU 211 CO -0.03 0.62 0.55 0.93 -0.73 0.00 0.00 179.01 180.35 2wag h GLU 212 N 0.34 1.00 -0.17 1.92 5.08 -1.89 -1.96 114.58 118.90 2wag h GLU 212 Ca 0.09 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2wag h GLU 212 Cb 0.35 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2wag h GLU 212 CO 0.01 0.66 -0.43 0.35 -1.00 0.00 0.00 179.01 178.60 2wag h PHE 213 N 1.03 0.47 -0.22 4.33 3.57 -0.67 -0.98 116.94 124.48 2wag h PHE 213 Ca 0.37 -0.14 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 2wag h PHE 213 Cb 0.11 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2wag h PHE 213 CO -0.02 0.76 -0.13 0.93 -2.23 0.00 0.00 178.31 177.62 2wag h GLU 214 N 0.33 0.36 -0.02 1.11 5.08 -0.48 -2.46 114.58 118.49 2wag h GLU 214 Ca 0.03 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2wag h GLU 214 Cb 0.89 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2wag h GLU 214 CO 0.07 0.49 -0.00 0.09 -1.00 0.00 0.00 179.01 178.66 2wag n ASN 215 N -4.24 1.99 -4.70 1.42 3.02 -0.79 -4.91 115.26 107.05 2wag n ASN 215 Ca -0.00 -1.66 -0.42 0.00 -0.03 0.00 0.00 54.58 52.47 2wag n ASN 215 Cb 0.29 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.44 2wag n ASN 215 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2wag s TYR 216 N -2.00 2.76 0.00 3.10 5.04 -0.40 -1.77 117.35 124.08 2wag s TYR 216 Ca 0.35 0.54 0.00 0.00 -2.44 0.00 0.00 57.07 55.52 2wag s TYR 216 Cb 0.21 -3.89 0.00 0.00 0.35 0.00 0.00 41.96 38.63 2wag s TYR 216 CO 0.33 -3.41 0.00 0.41 -1.34 0.00 0.00 175.55 171.54 2wag n GLY 217 N 3.83 0.64 0.56 8.97 0.00 -1.26 -4.85 105.19 113.09 2wag n GLY 217 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 2wag n GLY 217 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35