#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwe s GLY 3 N 0.00 1.37 0.10 -1.23 0.00 -1.26 -5.10 107.32 101.20 2pwe s GLY 3 Ca 0.00 -1.38 -0.19 0.00 0.00 0.00 0.00 44.72 43.15 2pwe s GLY 3 CO 0.00 -1.41 0.59 0.00 0.00 0.00 0.00 173.10 172.28 2pwe s ALA 4 N -2.10 3.57 0.73 3.20 0.00 -1.26 -5.03 121.76 120.87 2pwe s ALA 4 Ca 0.34 0.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.17 2pwe s ALA 4 Cb -0.08 -2.65 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 2pwe s ALA 4 CO 0.26 0.40 0.59 -2.30 0.00 0.00 0.00 175.76 174.71 2pwe n PRO 5 N 1.48 0.31 -0.32 0.00 -0.02 -1.26 -4.85 135.00 130.34 2pwe n PRO 5 Ca -0.09 0.15 0.04 0.00 -2.02 0.00 0.00 63.50 61.59 2pwe n PRO 5 Cb 0.51 -1.88 0.24 0.00 -0.02 0.00 0.00 33.50 32.34 2pwe n PRO 5 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2pwe h TRP 6 N -0.39 1.07 0.00 6.00 5.08 -1.99 -1.89 115.95 123.84 2pwe h TRP 6 Ca -0.46 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.54 2pwe h TRP 6 Cb 1.35 -0.35 0.00 0.00 -3.00 0.00 0.00 29.16 27.15 2pwe h TRP 6 CO 0.35 0.54 0.00 0.11 -1.28 0.00 0.00 178.44 178.16 2pwe h TRP 7 N 1.04 0.00 0.00 0.12 5.08 -1.96 -1.64 115.95 118.59 2pwe h TRP 7 Ca 0.41 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.36 2pwe h TRP 7 Cb 0.25 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.41 2pwe h TRP 7 CO -0.00 0.00 -0.20 0.87 -1.28 0.00 0.00 178.44 177.83 2pwe h LYS 8 N 0.00 0.00 -0.15 0.12 1.57 -1.67 -3.29 116.57 113.15 2pwe h LYS 8 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pwe h LYS 8 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2pwe h LYS 8 CO 0.00 0.09 0.00 -1.13 -0.57 0.00 0.00 179.45 177.84 2pwe n SER 9 N -3.08 2.45 -4.89 0.86 3.41 -0.82 -4.61 113.62 106.93 2pwe n SER 9 Ca 0.03 -2.08 -0.29 0.00 -0.26 0.00 0.00 58.87 56.27 2pwe n SER 9 Cb 0.57 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2pwe n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pwe s ALA 10 N -1.14 3.30 -0.18 7.33 0.00 -0.68 -4.92 121.76 125.46 2pwe s ALA 10 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2pwe s ALA 10 Cb 0.07 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.45 2pwe s ALA 10 CO 0.07 -0.47 -0.17 0.08 0.00 0.00 0.00 175.76 175.26 2pwe s VAL 11 N -2.90 2.35 0.22 0.00 1.01 -1.26 -4.19 120.40 115.63 2pwe s VAL 11 Ca 0.50 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.68 2pwe s VAL 11 Cb -0.11 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2pwe s VAL 11 CO 0.48 0.52 0.32 -0.36 0.00 0.00 0.00 175.10 176.06 2pwe s PHE 12 N 1.23 3.41 -0.05 5.22 0.40 -0.25 -1.19 117.98 126.75 2pwe s PHE 12 Ca 0.03 -0.00 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 2pwe s PHE 12 Cb -0.14 -1.57 0.02 0.00 0.51 0.00 0.00 43.02 41.84 2pwe s PHE 12 CO -0.09 0.47 -0.05 -0.47 0.70 0.00 0.00 175.22 175.77 2pwe s TYR 13 N -1.94 0.85 -0.20 0.36 6.14 -0.19 -1.15 117.35 121.21 2pwe s TYR 13 Ca 0.34 -0.26 -0.15 0.00 0.64 0.00 0.00 57.07 57.64 2pwe s TYR 13 Cb -0.09 -0.73 -0.04 0.00 0.42 0.00 0.00 41.96 41.52 2pwe s TYR 13 CO 0.28 -0.21 0.38 -1.14 0.64 0.00 0.00 175.55 175.50 2pwe s GLN 14 N 0.92 4.16 -0.18 4.97 0.74 0.83 -1.42 119.66 129.69 2pwe s GLN 14 Ca -0.11 0.16 -0.04 0.00 0.05 0.00 0.00 55.36 55.42 2pwe s GLN 14 Cb -0.14 -3.54 -0.02 0.00 1.10 0.00 0.00 33.01 30.41 2pwe s GLN 14 CO 0.00 -0.03 -0.03 0.08 -0.55 0.00 0.00 175.29 174.76 2pwe s VAL 15 N 1.29 3.71 -0.80 1.34 1.01 0.41 -1.88 120.40 125.47 2pwe s VAL 15 Ca 0.18 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 2pwe s VAL 15 Cb -0.15 -2.65 0.21 0.00 0.00 0.00 0.00 36.38 33.79 2pwe s VAL 15 CO 0.08 0.46 0.76 -0.47 0.00 0.00 0.00 175.10 175.92 2pwe s TYR 16 N 0.85 3.69 0.36 5.22 5.04 -1.26 -1.95 117.35 129.30 2pwe s TYR 16 Ca -0.01 -1.90 0.17 0.00 -2.44 0.00 0.00 57.07 52.89 2pwe s TYR 16 Cb -0.15 -3.84 1.13 0.00 0.35 0.00 0.00 41.96 39.46 2pwe s TYR 16 CO 0.02 -1.01 1.67 -1.35 -1.34 0.00 0.00 175.55 173.53 2pwe h PRO 17 N 7.93 0.30 -0.30 4.97 0.11 -1.93 0.30 132.00 143.37 2pwe h PRO 17 Ca 0.07 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.25 2pwe h PRO 17 Cb 1.05 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2pwe h PRO 17 CO 0.79 0.20 0.22 -0.09 -0.21 0.00 0.00 178.00 178.91 2pwe h ARG 18 N 0.30 0.00 0.00 1.05 2.43 -1.93 -2.68 114.38 113.56 2pwe h ARG 18 Ca 0.73 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.90 2pwe h ARG 18 Cb 1.77 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.32 2pwe h ARG 18 CO -0.55 0.00 -0.00 0.43 -1.51 0.00 0.00 179.97 178.34 2pwe n SER 19 N -4.40 2.35 -0.05 -3.80 7.64 0.07 -0.33 113.62 115.11 2pwe n SER 19 Ca 0.04 -3.09 -0.04 0.00 1.01 0.00 0.00 58.87 56.79 2pwe n SER 19 Cb 0.39 -0.43 -0.01 0.00 -1.01 0.00 0.00 64.21 63.15 2pwe n SER 19 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2pwe n PHE 20 N -1.44 0.28 -3.66 1.43 7.35 -1.01 -1.15 117.46 119.27 2pwe n PHE 20 Ca 0.16 0.12 -0.08 0.00 -0.76 0.00 0.00 57.45 56.90 2pwe n PHE 20 Cb 0.64 -0.44 -0.09 0.00 0.35 0.00 0.00 39.48 39.94 2pwe n PHE 20 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2pwe s LYS 21 N -2.01 0.36 -0.00 -4.13 2.47 -1.26 -4.41 119.74 110.76 2pwe s LYS 21 Ca -0.14 1.09 -0.15 0.00 -1.56 0.00 0.00 55.97 55.20 2pwe s LYS 21 Cb 0.02 0.39 -0.06 0.00 -1.46 0.00 0.00 37.83 36.72 2pwe s LYS 21 CO 0.21 -0.24 0.41 0.34 0.16 0.00 0.00 175.35 176.23 2pwe s ASP 22 N 2.60 6.81 0.00 1.43 2.15 -0.42 -1.49 116.67 127.75 2pwe s ASP 22 Ca -0.03 0.97 0.00 0.00 0.43 0.00 0.00 52.55 53.92 2pwe s ASP 22 Cb -0.12 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2pwe s ASP 22 CO -0.14 0.31 0.71 0.35 -0.17 0.00 0.00 175.17 176.24 2pwe n THR 23 N 1.89 0.51 -1.85 1.71 -2.24 -1.26 -4.61 114.28 108.43 2pwe n THR 23 Ca -0.14 -0.59 0.03 0.00 -2.27 0.00 0.00 64.05 61.07 2pwe n THR 23 Cb 0.52 0.83 0.04 0.00 -2.10 0.00 0.00 70.33 69.61 2pwe n THR 23 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2pwe n ASN 24 N -0.25 0.61 -1.87 3.42 6.94 -1.26 -5.03 115.26 117.82 2pwe n ASN 24 Ca 0.00 -2.27 -0.15 0.00 -0.02 0.00 0.00 54.58 52.14 2pwe n ASN 24 Cb 0.27 -0.26 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 2pwe n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2pwe n GLY 25 N -0.27 0.58 0.55 4.83 0.00 -1.26 -4.82 105.19 104.80 2pwe n GLY 25 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 2pwe n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pwe n ASP 26 N -1.20 1.69 0.00 1.61 5.75 -1.26 -4.01 116.55 119.13 2pwe n ASP 26 Ca -0.16 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 2pwe n ASP 26 Cb 0.55 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 2pwe n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pwe n GLY 27 N 1.18 0.85 3.28 6.12 0.00 -1.25 -4.80 105.19 110.56 2pwe n GLY 27 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2pwe n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pwe s ILE 28 N -3.24 2.16 0.79 -0.61 1.01 -1.26 -1.47 121.20 118.57 2pwe s ILE 28 Ca 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 60.65 59.50 2pwe s ILE 28 Cb 0.00 -1.79 0.07 0.00 0.01 0.00 0.00 42.46 40.75 2pwe s ILE 28 CO 0.00 0.57 1.15 -0.83 0.00 0.00 0.00 174.94 175.83 2pwe s GLY 29 N -0.11 1.99 0.31 6.18 0.00 0.56 -4.42 107.32 111.82 2pwe s GLY 29 Ca -0.05 0.63 -0.03 0.00 0.00 0.00 0.00 44.72 45.26 2pwe s GLY 29 CO 0.04 1.02 0.42 0.51 0.00 0.00 0.00 173.10 175.09 2pwe s ASP 30 N -2.57 0.70 0.19 1.64 1.47 -0.55 -4.32 116.67 113.23 2pwe s ASP 30 Ca 0.68 -1.39 -0.12 0.00 1.18 0.00 0.00 52.55 52.90 2pwe s ASP 30 Cb -0.24 0.61 0.10 0.00 -0.34 0.00 0.00 42.92 43.05 2pwe s ASP 30 CO 0.51 -1.19 1.83 -0.26 0.68 0.00 0.00 175.17 176.73 2pwe h PHE 31 N 2.20 0.84 -0.87 2.11 0.04 -0.97 -2.04 116.94 118.25 2pwe h PHE 31 Ca -0.29 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.51 2pwe h PHE 31 Cb 1.24 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 39.07 2pwe h PHE 31 CO 1.16 0.57 0.58 0.87 -0.60 0.00 0.00 178.31 180.89 2pwe h LYS 32 N 0.86 1.10 -0.45 1.51 6.56 -1.91 0.66 116.57 124.90 2pwe h LYS 32 Ca 0.23 -0.07 -0.06 0.00 -1.06 0.00 0.00 60.65 59.69 2pwe h LYS 32 Cb -0.03 -0.25 -0.02 0.00 -0.57 0.00 0.00 32.23 31.37 2pwe h LYS 32 CO -0.04 0.73 0.05 0.78 -2.06 0.00 0.00 179.45 178.91 2pwe h GLY 33 N 1.14 0.83 0.90 3.86 0.00 -1.56 -1.52 103.07 106.71 2pwe h GLY 33 Ca 0.33 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 2pwe h GLY 33 CO -0.09 0.53 0.01 -2.00 0.00 0.00 0.00 176.54 174.99 2pwe h LEU 34 N 0.62 0.55 -0.96 3.11 5.85 -0.70 -2.91 115.31 120.89 2pwe h LEU 34 Ca 0.13 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.64 2pwe h LEU 34 Cb 0.42 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 2pwe h LEU 34 CO 0.01 0.72 0.60 0.74 -0.34 0.00 0.00 178.44 180.17 2pwe h THR 35 N 0.37 1.02 0.00 1.05 2.02 -0.77 0.17 112.91 116.77 2pwe h THR 35 Ca 0.09 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 2pwe h THR 35 Cb 0.43 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2pwe h THR 35 CO 0.01 0.19 -0.04 -0.08 0.37 0.00 0.00 175.52 175.98 2pwe h GLU 36 N 1.05 0.00 -0.62 6.66 4.81 -1.12 -2.39 114.58 122.97 2pwe h GLU 36 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 2pwe h GLU 36 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2pwe h GLU 36 CO -0.20 0.04 0.00 1.63 -0.73 0.00 0.00 179.01 179.74 2pwe n LYS 37 N -3.52 3.04 0.03 1.92 4.76 0.03 -4.58 118.16 119.86 2pwe n LYS 37 Ca -0.02 -2.62 0.01 0.00 -2.87 0.00 0.00 58.31 52.81 2pwe n LYS 37 Cb 0.14 -1.61 0.35 0.00 -1.84 0.00 0.00 35.03 32.07 2pwe n LYS 37 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2pwe h LEU 38 N 3.70 0.42 -1.31 -0.35 3.38 -1.25 -1.85 115.31 118.04 2pwe h LEU 38 Ca 0.00 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2pwe h LEU 38 Cb 1.08 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2pwe h LEU 38 CO 0.07 0.47 -0.01 0.44 0.09 0.00 0.00 178.44 179.49 2pwe h ASP 39 N 0.44 0.41 -0.08 -0.43 3.32 -1.83 0.69 116.42 118.95 2pwe h ASP 39 Ca 0.10 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2pwe h ASP 39 Cb 0.25 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2pwe h ASP 39 CO 0.00 0.49 0.01 0.22 -1.72 0.00 0.00 179.24 178.24 2pwe h TYR 40 N 0.43 0.14 -0.39 4.55 3.20 -1.67 0.15 116.97 123.37 2pwe h TYR 40 Ca 0.09 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 2pwe h TYR 40 Cb 0.30 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2pwe h TYR 40 CO 0.01 0.36 0.10 -0.07 -1.64 0.00 0.00 178.16 176.92 2pwe h LEU 41 N -0.12 0.59 -0.65 2.82 3.38 -0.94 -1.68 115.31 118.71 2pwe h LEU 41 Ca 0.02 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2pwe h LEU 41 Cb 0.30 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2pwe h LEU 41 CO 0.00 0.67 0.38 0.50 0.09 0.00 0.00 178.44 180.08 2pwe h LYS 42 N 0.49 0.69 0.00 1.13 1.63 0.47 -1.98 116.57 119.00 2pwe h LYS 42 Ca 0.12 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.84 2pwe h LYS 42 Cb 0.31 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 2pwe h LYS 42 CO 0.00 0.46 -0.22 0.78 -3.45 0.00 0.00 179.45 177.02 2pwe h GLY 43 N 0.71 0.00 1.97 5.01 0.00 -0.38 -1.70 103.07 108.68 2pwe h GLY 43 Ca 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.51 2pwe h GLY 43 CO -0.15 0.00 -0.44 -2.00 0.00 0.00 0.00 176.54 173.95 2pwe h LEU 44 N 0.00 0.04 0.00 3.11 5.85 -0.57 -3.47 115.31 120.27 2pwe h LEU 44 Ca -0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2pwe h LEU 44 Cb 0.41 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2pwe h LEU 44 CO 0.03 0.47 0.00 0.61 -0.34 0.00 0.00 178.44 179.21 2pwe n GLY 45 N -0.24 1.46 3.74 3.75 0.00 -0.64 -4.54 105.19 108.71 2pwe n GLY 45 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2pwe n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pwe s ILE 46 N -2.00 3.32 -0.15 -0.61 -1.09 -0.99 -4.84 121.20 114.83 2pwe s ILE 46 Ca 0.00 1.08 0.09 0.00 -2.23 0.00 0.00 60.65 59.59 2pwe s ILE 46 Cb 0.00 -3.69 -0.23 0.00 -1.58 0.00 0.00 42.46 36.96 2pwe s ILE 46 CO 0.00 0.16 0.23 0.47 -1.23 0.00 0.00 174.94 174.57 2pwe n ASP 47 N 2.67 1.05 -3.75 3.58 8.00 -0.33 -4.71 116.55 123.06 2pwe n ASP 47 Ca 0.06 0.13 -0.12 0.00 0.71 0.00 0.00 54.79 55.57 2pwe n ASP 47 Cb 0.43 0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.52 2pwe n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pwe s ALA 48 N -2.54 -0.74 -0.05 2.24 0.00 -1.14 -1.97 121.76 117.56 2pwe s ALA 48 Ca -0.16 0.13 0.06 0.00 0.00 0.00 0.00 51.96 51.99 2pwe s ALA 48 Cb 0.07 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 2pwe s ALA 48 CO 0.77 -0.37 -0.22 0.42 0.00 0.00 0.00 175.76 176.36 2pwe s ILE 49 N -2.15 1.85 -0.22 0.00 1.01 -0.58 -1.02 121.20 120.08 2pwe s ILE 49 Ca -0.08 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.56 2pwe s ILE 49 Cb -0.02 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 2pwe s ILE 49 CO -0.01 0.52 0.02 0.86 0.00 0.00 0.00 174.94 176.34 2pwe s TRP 50 N -0.11 3.05 -0.08 3.97 -0.00 -0.50 -0.10 118.94 125.17 2pwe s TRP 50 Ca -0.03 -0.51 -0.02 0.00 -0.00 0.00 0.00 56.10 55.53 2pwe s TRP 50 Cb -0.13 -2.16 -0.03 0.00 -0.00 0.00 0.00 33.47 31.15 2pwe s TRP 50 CO 0.03 -0.34 0.03 0.96 -0.00 0.00 0.00 176.95 177.64 2pwe s ILE 51 N 1.34 4.55 1.03 5.86 -4.36 -0.56 -0.45 121.20 128.62 2pwe s ILE 51 Ca 0.04 -0.20 -0.12 0.00 -0.26 0.00 0.00 60.65 60.11 2pwe s ILE 51 Cb -0.15 -2.95 0.21 0.00 1.25 0.00 0.00 42.46 40.83 2pwe s ILE 51 CO 0.02 0.57 1.07 0.20 0.24 0.00 0.00 174.94 177.04 2pwe s ASN 52 N -1.02 2.23 -0.02 4.36 -0.87 -0.82 -3.10 114.94 115.69 2pwe s ASN 52 Ca 0.15 1.35 -0.36 0.00 -1.57 0.00 0.00 52.86 52.43 2pwe s ASN 52 Cb -0.11 -2.05 -0.18 0.00 -0.02 0.00 0.00 41.25 38.89 2pwe s ASN 52 CO 0.04 -3.40 0.97 -2.65 -2.57 0.00 0.00 177.10 169.49 2pwe n PRO 53 N -4.37 0.00 -0.31 -0.60 -0.02 -1.26 -4.68 135.00 123.76 2pwe n PRO 53 Ca 0.05 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.60 2pwe n PRO 53 Cb 0.56 -1.32 0.11 0.00 -0.02 0.00 0.00 33.50 32.83 2pwe n PRO 53 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2pwe n HIS 54 N 1.44 0.00 -3.20 6.00 1.44 -1.26 -4.74 115.22 114.90 2pwe n HIS 54 Ca 0.18 -0.80 -0.19 0.00 -2.01 0.00 0.00 57.72 54.90 2pwe n HIS 54 Cb 0.06 -0.14 0.01 0.00 0.12 0.00 0.00 29.99 30.04 2pwe n HIS 54 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2pwe s TYR 55 N -2.10 3.02 0.18 -1.40 1.51 -1.26 -0.36 117.35 116.95 2pwe s TYR 55 Ca 0.25 -0.19 -0.33 0.00 -1.01 0.00 0.00 57.07 55.79 2pwe s TYR 55 Cb 0.23 -2.21 -0.14 0.00 -0.11 0.00 0.00 41.96 39.73 2pwe s TYR 55 CO 0.00 -0.25 1.54 0.00 -1.11 0.00 0.00 175.55 175.73 2pwe n ALA 56 N -1.82 1.34 -3.46 3.71 0.00 -0.21 -3.22 120.51 116.85 2pwe n ALA 56 Ca 0.03 0.44 -0.15 0.00 0.00 0.00 0.00 53.44 53.76 2pwe n ALA 56 Cb 0.58 -2.34 -0.08 0.00 0.00 0.00 0.00 19.45 17.62 2pwe n ALA 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2pwe s SER 57 N 0.74 -0.56 0.00 0.00 0.15 -1.26 -0.37 113.70 112.41 2pwe s SER 57 Ca 0.76 0.89 0.21 0.00 0.70 0.00 0.00 55.95 58.51 2pwe s SER 57 Cb -0.67 0.89 0.93 0.00 -1.71 0.00 0.00 66.02 65.46 2pwe s SER 57 CO 0.41 -0.34 1.68 -2.65 1.20 0.00 0.00 173.24 173.54 2pwe n PRO 58 N 2.06 0.04 -2.57 5.44 -0.02 -1.23 -4.91 135.00 133.81 2pwe n PRO 58 Ca -0.16 0.13 -0.17 0.00 -2.02 0.00 0.00 63.50 61.28 2pwe n PRO 58 Cb 0.56 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.55 2pwe n PRO 58 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2pwe n ASN 59 N -1.47 -4.92 0.27 2.55 3.02 -1.26 -4.89 115.26 108.56 2pwe n ASN 59 Ca 0.06 -0.12 0.15 0.00 -0.03 0.00 0.00 54.58 54.64 2pwe n ASN 59 Cb 0.24 -3.90 0.72 0.00 -0.61 0.00 0.00 39.78 36.23 2pwe n ASN 59 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2pwe h THR 60 N -0.54 0.24 -0.47 3.41 1.35 -1.91 -3.05 112.91 111.94 2pwe h THR 60 Ca -0.39 -0.58 -0.25 0.00 -0.55 0.00 0.00 66.41 64.63 2pwe h THR 60 Cb 1.28 1.46 -0.40 0.00 -1.73 0.00 0.00 68.15 68.76 2pwe h THR 60 CO 0.44 0.07 -1.12 -0.67 -0.25 0.00 0.00 175.52 174.00 2pwe n ASP 61 N -3.27 1.62 -3.96 5.36 2.03 -1.26 -4.87 116.55 112.19 2pwe n ASP 61 Ca -0.01 -2.09 -0.42 0.00 0.52 0.00 0.00 54.79 52.80 2pwe n ASP 61 Cb 0.29 -0.48 0.02 0.00 -0.72 0.00 0.00 41.12 40.23 2pwe n ASP 61 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2pwe n ASN 62 N -0.57 -4.33 0.00 1.67 5.03 -1.16 -2.17 115.26 113.73 2pwe n ASN 62 Ca 0.08 -1.21 0.00 0.00 0.87 0.00 0.00 54.58 54.32 2pwe n ASN 62 Cb 0.80 -2.22 0.00 0.00 -1.02 0.00 0.00 39.78 37.35 2pwe n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2pwe n GLY 63 N -1.98 3.02 0.10 7.41 0.00 -1.26 -4.79 105.19 107.68 2pwe n GLY 63 Ca -0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.00 2pwe n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pwe n TYR 64 N -0.76 0.04 -3.86 1.61 4.01 -0.92 -4.22 117.16 113.05 2pwe n TYR 64 Ca 0.00 -0.02 -0.30 0.00 -0.16 0.00 0.00 57.90 57.42 2pwe n TYR 64 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.89 2pwe n TYR 64 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 2pwe s ASP 65 N -1.58 4.12 -0.14 7.72 -4.77 -1.26 -4.83 116.67 115.92 2pwe s ASP 65 Ca 0.29 -2.71 -0.21 0.00 -3.30 0.00 0.00 52.55 46.62 2pwe s ASP 65 Cb 0.14 -1.39 -0.03 0.00 -1.09 0.00 0.00 42.92 40.55 2pwe s ASP 65 CO 0.22 -0.27 0.63 -0.63 0.70 0.00 0.00 175.17 175.83 2pwe s ILE 66 N 0.17 5.05 -1.34 2.11 1.01 -1.26 -3.54 121.20 123.40 2pwe s ILE 66 Ca 0.16 1.24 0.23 0.00 0.00 0.00 0.00 60.65 62.28 2pwe s ILE 66 Cb -0.24 -3.96 -0.09 0.00 0.01 0.00 0.00 42.46 38.18 2pwe s ILE 66 CO -0.02 0.19 1.10 -1.54 0.00 0.00 0.00 174.94 174.66 2pwe n SER 67 N 4.45 1.18 -3.15 3.58 3.41 0.51 -1.30 113.62 122.30 2pwe n SER 67 Ca -0.02 -1.00 0.04 0.00 -0.26 0.00 0.00 58.87 57.64 2pwe n SER 67 Cb 0.50 0.66 -0.01 0.00 -0.26 0.00 0.00 64.21 65.10 2pwe n SER 67 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pwe s ASP 68 N -2.82 -1.16 0.00 4.04 -1.08 -1.23 -4.13 116.67 110.29 2pwe s ASP 68 Ca 0.13 0.45 0.05 0.00 -0.52 0.00 0.00 52.55 52.66 2pwe s ASP 68 Cb 0.17 1.86 0.26 0.00 -1.46 0.00 0.00 42.92 43.76 2pwe s ASP 68 CO 0.73 -0.21 1.05 -1.22 0.52 0.00 0.00 175.17 176.03 2pwe n TYR 69 N 5.39 0.00 -0.35 -5.34 4.01 -1.26 -2.81 117.16 116.80 2pwe n TYR 69 Ca 0.01 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.79 2pwe n TYR 69 Cb 0.53 -0.33 0.10 0.00 -0.31 0.00 0.00 39.34 39.34 2pwe n TYR 69 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2pwe n ARG 70 N -1.33 2.68 -4.30 -0.72 1.74 -1.26 -4.98 116.66 108.48 2pwe n ARG 70 Ca 0.02 -2.02 -0.24 0.00 -0.77 0.00 0.00 57.85 54.85 2pwe n ARG 70 Cb 0.05 -1.27 -0.13 0.00 -1.02 0.00 0.00 32.46 30.09 2pwe n ARG 70 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2pwe s GLU 71 N -1.53 1.12 0.43 5.56 0.41 -1.13 -5.06 118.70 118.51 2pwe s GLU 71 Ca 0.18 -1.14 -0.13 0.00 -0.41 0.00 0.00 54.97 53.48 2pwe s GLU 71 Cb 0.13 -1.37 -0.07 0.00 -1.78 0.00 0.00 34.13 31.04 2pwe s GLU 71 CO 0.07 0.32 0.83 0.14 -0.49 0.00 0.00 175.26 176.13 2pwe s VAL 72 N -1.14 4.70 0.23 2.63 -7.23 -1.26 -1.05 120.40 117.29 2pwe s VAL 72 Ca 0.06 0.82 -0.31 0.00 -1.81 0.00 0.00 61.98 60.74 2pwe s VAL 72 Cb -0.10 -3.72 -0.11 0.00 0.56 0.00 0.00 36.38 33.01 2pwe s VAL 72 CO 0.04 -0.56 1.60 -0.32 -0.31 0.00 0.00 175.10 175.55 2pwe s MET 73 N -3.87 4.17 0.21 4.82 1.75 0.52 -3.79 119.30 123.10 2pwe s MET 73 Ca 0.54 2.49 -0.09 0.00 -1.25 0.00 0.00 55.69 57.37 2pwe s MET 73 Cb -0.10 -3.08 0.30 0.00 2.84 0.00 0.00 34.83 34.78 2pwe s MET 73 CO 0.31 -0.62 1.71 1.57 -0.65 0.00 0.00 175.02 177.34 2pwe h LYS 74 N 5.85 0.29 -0.08 4.11 -0.00 -1.87 -1.14 116.57 123.74 2pwe h LYS 74 Ca -0.45 -0.02 0.02 0.00 -0.00 0.00 0.00 60.65 60.21 2pwe h LYS 74 Cb 1.21 -0.07 -0.00 0.00 -0.00 0.00 0.00 32.23 33.37 2pwe h LYS 74 CO 0.86 0.19 0.06 0.93 -0.00 0.00 0.00 179.45 181.49 2pwe h GLU 75 N 0.30 0.00 0.00 0.07 3.07 -1.96 -2.76 114.58 113.30 2pwe h GLU 75 Ca 0.32 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.14 2pwe h GLU 75 Cb 0.46 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 2pwe h GLU 75 CO -0.38 0.00 -0.88 1.88 -1.40 0.00 0.00 179.01 178.23 2pwe h TYR 76 N 0.00 0.00 0.00 4.33 0.05 -1.47 -3.42 116.97 116.45 2pwe h TYR 76 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 2pwe h TYR 76 Cb 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 2pwe h TYR 76 CO 0.00 0.13 0.00 0.41 -1.05 0.00 0.00 178.16 177.65 2pwe n GLY 77 N 1.21 0.46 3.62 3.88 0.00 -1.04 -0.31 105.19 113.01 2pwe n GLY 77 Ca -0.01 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 2pwe n GLY 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pwe s THR 78 N -4.00 1.82 0.43 2.61 -4.23 -1.26 -4.41 115.64 106.59 2pwe s THR 78 Ca 0.00 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 2pwe s THR 78 Cb 0.00 -2.89 0.27 0.00 1.34 0.00 0.00 72.50 71.22 2pwe s THR 78 CO 0.00 0.00 2.07 -0.03 -0.54 0.00 0.00 174.62 176.12 2pwe h MET 79 N 1.76 0.46 -0.85 3.99 4.05 -1.97 0.48 114.93 122.85 2pwe h MET 79 Ca -0.44 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 58.92 2pwe h MET 79 Cb 1.25 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.91 2pwe h MET 79 CO 0.79 0.30 0.41 1.49 0.23 0.00 0.00 176.91 180.13 2pwe h GLU 80 N 0.47 1.22 -0.34 0.39 4.81 -1.99 0.21 114.58 119.36 2pwe h GLU 80 Ca 0.14 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 2pwe h GLU 80 Cb -0.02 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 2pwe h GLU 80 CO -0.03 0.94 -0.19 -0.44 -0.73 0.00 0.00 179.01 178.56 2pwe h ASP 81 N 1.21 0.76 -0.20 1.04 3.32 -1.36 -1.15 116.42 120.04 2pwe h ASP 81 Ca 0.29 -0.42 0.03 0.00 0.02 0.00 0.00 57.03 56.95 2pwe h ASP 81 Cb 0.12 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 2pwe h ASP 81 CO -0.04 1.01 0.02 0.15 -1.72 0.00 0.00 179.24 178.67 2pwe h PHE 82 N 0.51 0.04 -0.96 4.55 3.57 -0.51 0.13 116.94 124.27 2pwe h PHE 82 Ca 0.07 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.60 2pwe h PHE 82 Cb 0.73 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 2pwe h PHE 82 CO 0.06 0.00 0.64 -0.44 -2.23 0.00 0.00 178.31 176.34 2pwe h ASP 83 N 0.10 1.09 -0.79 0.41 3.32 -0.51 -1.28 116.42 118.76 2pwe h ASP 83 Ca 0.09 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2pwe h ASP 83 Cb 0.10 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 2pwe h ASP 83 CO -0.13 0.77 0.41 -0.09 -1.72 0.00 0.00 179.24 178.48 2pwe h ARG 84 N 1.27 1.12 -0.35 3.56 2.43 -0.65 -0.49 114.38 121.26 2pwe h ARG 84 Ca 0.36 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.39 2pwe h ARG 84 Cb -0.10 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.22 2pwe h ARG 84 CO -0.09 0.84 0.23 1.25 -1.51 0.00 0.00 179.97 180.69 2pwe h LEU 85 N 1.10 0.39 -0.15 3.80 5.85 0.12 -0.60 115.31 125.82 2pwe h LEU 85 Ca 0.28 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.03 2pwe h LEU 85 Cb 0.07 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 2pwe h LEU 85 CO -0.04 0.28 -0.15 0.24 -0.34 0.00 0.00 178.44 178.43 2pwe h MET 86 N 0.47 -0.17 -0.68 1.25 2.86 -0.75 -0.60 114.93 117.30 2pwe h MET 86 Ca 0.13 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 2pwe h MET 86 Cb -0.04 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 2pwe h MET 86 CO -0.04 -0.11 0.43 0.00 1.06 0.00 0.00 176.91 178.25 2pwe h ALA 87 N 0.90 0.88 0.00 6.32 0.00 -0.80 -1.03 119.26 125.53 2pwe h ALA 87 Ca 0.10 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2pwe h ALA 87 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2pwe h ALA 87 CO -0.25 0.22 -0.36 0.93 0.00 0.00 0.00 179.25 179.78 2pwe h GLU 88 N 0.85 0.00 -0.14 0.00 4.39 -0.75 -1.99 114.58 116.95 2pwe h GLU 88 Ca 0.27 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.79 2pwe h GLU 88 Cb -0.01 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2pwe h GLU 88 CO -0.09 0.36 -0.63 -0.07 -1.16 0.00 0.00 179.01 177.42 2pwe h LEU 89 N 0.00 0.79 -0.91 1.33 3.38 -0.55 -3.18 115.31 116.16 2pwe h LEU 89 Ca -0.00 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.31 2pwe h LEU 89 Cb 0.88 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 2pwe h LEU 89 CO 0.05 1.29 0.42 0.50 0.09 0.00 0.00 178.44 180.79 2pwe h LYS 90 N 0.34 1.20 -0.10 1.13 3.64 -0.91 0.18 116.57 122.05 2pwe h LYS 90 Ca -0.04 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.21 2pwe h LYS 90 Cb 1.26 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2pwe h LYS 90 CO 0.13 0.91 0.07 0.87 -2.27 0.00 0.00 179.45 179.16 2pwe h LYS 91 N 1.19 0.00 -0.47 1.90 1.57 -1.40 0.12 116.57 119.49 2pwe h LYS 91 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2pwe h LYS 91 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2pwe h LYS 91 CO -0.04 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.38 2pwe n ARG 92 N -4.50 2.31 -1.73 3.15 1.74 -0.52 -4.91 116.66 112.20 2pwe n ARG 92 Ca -0.01 -2.01 -0.12 0.00 -0.77 0.00 0.00 57.85 54.95 2pwe n ARG 92 Cb 0.19 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 2pwe n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pwe n GLY 93 N 1.41 0.70 3.96 -0.13 0.00 0.41 -5.02 105.19 106.52 2pwe n GLY 93 Ca 0.19 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 2pwe n GLY 93 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pwe s MET 94 N -3.70 3.45 0.12 1.61 -1.94 0.51 -4.99 119.30 114.35 2pwe s MET 94 Ca 0.00 -0.66 0.07 0.00 -1.71 0.00 0.00 55.69 53.40 2pwe s MET 94 Cb 0.00 -2.89 -0.04 0.00 2.01 0.00 0.00 34.83 33.91 2pwe s MET 94 CO 0.00 0.44 -0.10 1.03 -0.01 0.00 0.00 175.02 176.37 2pwe s ARG 95 N -3.74 2.10 -0.10 2.03 1.81 -0.83 -3.94 118.95 116.27 2pwe s ARG 95 Ca 0.35 -1.07 0.01 0.00 -1.72 0.00 0.00 55.73 53.30 2pwe s ARG 95 Cb -0.10 -2.27 -0.02 0.00 -0.45 0.00 0.00 34.95 32.11 2pwe s ARG 95 CO 0.29 0.49 -0.13 -1.17 -0.68 0.00 0.00 175.30 174.11 2pwe s LEU 96 N -2.30 2.77 -0.16 2.53 2.96 -1.26 -1.53 118.68 121.68 2pwe s LEU 96 Ca 0.22 -0.26 -0.00 0.00 -0.22 0.00 0.00 54.13 53.86 2pwe s LEU 96 Cb -0.11 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 44.98 2pwe s LEU 96 CO 0.14 0.23 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.94 2pwe s MET 97 N -0.04 3.23 0.34 1.98 -2.45 0.86 -1.44 119.30 121.79 2pwe s MET 97 Ca -0.03 -0.74 0.07 0.00 -1.25 0.00 0.00 55.69 53.75 2pwe s MET 97 Cb -0.14 -2.66 -0.01 0.00 1.25 0.00 0.00 34.83 33.27 2pwe s MET 97 CO 0.04 -0.00 0.43 0.14 1.05 0.00 0.00 175.02 176.67 2pwe s VAL 98 N 0.87 3.86 -0.06 10.11 -7.23 -0.78 -1.49 120.40 125.69 2pwe s VAL 98 Ca -0.04 -1.10 -0.15 0.00 -1.81 0.00 0.00 61.98 58.88 2pwe s VAL 98 Cb -0.15 -3.33 -0.05 0.00 0.56 0.00 0.00 36.38 33.41 2pwe s VAL 98 CO -0.01 -0.15 0.38 -0.62 -0.31 0.00 0.00 175.10 174.39 2pwe s ASP 99 N -4.13 6.69 -0.21 4.85 -1.08 -1.18 -1.72 116.67 119.89 2pwe s ASP 99 Ca 0.44 0.82 0.01 0.00 -0.52 0.00 0.00 52.55 53.30 2pwe s ASP 99 Cb -0.08 -2.23 0.03 0.00 -1.46 0.00 0.00 42.92 39.17 2pwe s ASP 99 CO 0.30 0.24 -0.14 -0.69 0.52 0.00 0.00 175.17 175.40 2pwe s VAL 100 N -0.52 2.33 -0.69 1.11 1.01 0.47 -4.78 120.40 119.32 2pwe s VAL 100 Ca 0.22 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 2pwe s VAL 100 Cb -0.15 -2.12 0.17 0.00 0.00 0.00 0.00 36.38 34.28 2pwe s VAL 100 CO 0.11 0.33 0.51 -0.69 0.00 0.00 0.00 175.10 175.36 2pwe s VAL 101 N 1.26 3.62 -0.15 2.92 1.01 -1.26 -0.54 120.40 127.25 2pwe s VAL 101 Ca 0.01 -3.44 0.15 0.00 0.00 0.00 0.00 61.98 58.70 2pwe s VAL 101 Cb -0.15 -3.34 0.33 0.00 0.00 0.00 0.00 36.38 33.22 2pwe s VAL 101 CO -0.09 -0.94 1.17 2.30 0.00 0.00 0.00 175.10 177.54 2pwe n ILE 102 N 2.91 1.89 0.03 2.22 -5.35 -1.26 -4.46 119.36 115.33 2pwe n ILE 102 Ca 0.13 -2.53 -0.03 0.00 -0.27 0.00 0.00 62.75 60.04 2pwe n ILE 102 Cb 0.36 -0.18 -0.09 0.00 -1.74 0.00 0.00 39.64 37.99 2pwe n ILE 102 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 2pwe h ASN 103 N 0.42 0.00 -5.12 7.28 -1.24 -1.87 -3.44 115.58 111.61 2pwe h ASN 103 Ca -0.01 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 2pwe h ASN 103 Cb 1.04 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 39.97 2pwe h ASN 103 CO 0.00 0.75 -0.08 -1.38 -1.29 0.00 0.00 177.43 175.43 2pwe s HIS 104 N -2.80 -0.03 0.44 0.67 -3.43 -1.26 -0.50 115.29 108.37 2pwe s HIS 104 Ca -0.02 -0.31 0.03 0.00 -0.80 0.00 0.00 55.06 53.96 2pwe s HIS 104 Cb 0.08 0.25 -0.02 0.00 -1.43 0.00 0.00 32.58 31.46 2pwe s HIS 104 CO 0.81 -0.80 0.10 -1.54 -2.00 0.00 0.00 174.74 171.30 2pwe s SER 105 N -2.87 3.15 0.62 7.38 1.04 -0.79 -4.81 113.70 117.42 2pwe s SER 105 Ca 0.09 -1.67 -0.13 0.00 0.48 0.00 0.00 55.95 54.72 2pwe s SER 105 Cb 0.01 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 2pwe s SER 105 CO -0.05 -0.91 1.04 -0.55 0.98 0.00 0.00 173.24 173.75 2pwe s SER 106 N -3.68 5.95 0.00 7.02 0.15 -0.42 -2.84 113.70 119.88 2pwe s SER 106 Ca 0.19 1.57 0.28 0.00 0.70 0.00 0.00 55.95 58.70 2pwe s SER 106 Cb 0.02 -2.49 1.45 0.00 -1.71 0.00 0.00 66.02 63.29 2pwe s SER 106 CO 0.12 -1.06 1.99 -0.90 1.20 0.00 0.00 173.24 174.59 2pwe n ASP 107 N -2.57 0.00 -0.17 5.45 5.75 -0.57 -2.62 116.55 121.83 2pwe n ASP 107 Ca 0.07 -0.17 0.12 0.00 -0.01 0.00 0.00 54.79 54.80 2pwe n ASP 107 Cb 0.54 -0.27 0.21 0.00 -1.03 0.00 0.00 41.12 40.57 2pwe n ASP 107 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pwe n GLN 108 N -1.27 0.51 -1.88 0.11 1.13 -1.26 -4.37 117.38 110.35 2pwe n GLN 108 Ca 0.14 -0.34 -0.41 0.00 -1.94 0.00 0.00 57.00 54.45 2pwe n GLN 108 Cb 0.22 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.06 2pwe n GLN 108 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2pwe s HIS 109 N -2.73 2.78 0.36 1.08 2.46 -1.08 -4.83 115.29 113.33 2pwe s HIS 109 Ca 0.17 1.08 0.12 0.00 0.47 0.00 0.00 55.06 56.90 2pwe s HIS 109 Cb 0.18 -3.95 0.93 0.00 -0.13 0.00 0.00 32.58 29.62 2pwe s HIS 109 CO 0.63 -2.91 1.78 0.93 -2.47 0.00 0.00 174.74 172.70 2pwe h GLU 110 N 3.90 0.55 -0.58 2.88 4.39 -1.92 -0.86 114.58 122.94 2pwe h GLU 110 Ca -0.49 -0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.28 2pwe h GLU 110 Cb 1.23 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.68 2pwe h GLU 110 CO 0.71 0.36 0.17 -1.49 -1.16 0.00 0.00 179.01 177.60 2pwe h TRP 111 N 0.56 0.30 -0.22 4.33 6.55 -1.93 -0.93 115.95 124.62 2pwe h TRP 111 Ca 0.57 0.03 -0.19 0.00 0.95 0.00 0.00 58.89 60.25 2pwe h TRP 111 Cb 1.17 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 29.43 2pwe h TRP 111 CO -0.00 0.04 -0.61 0.35 -1.05 0.00 0.00 178.44 177.17 2pwe h PHE 112 N 0.33 0.94 -0.75 0.49 3.57 -1.48 0.20 116.94 120.25 2pwe h PHE 112 Ca 0.29 -0.36 0.03 0.00 3.53 0.00 0.00 57.97 61.46 2pwe h PHE 112 Cb 0.39 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 2pwe h PHE 112 CO -0.20 1.16 0.49 0.87 -2.23 0.00 0.00 178.31 178.41 2pwe h LYS 113 N 0.55 0.92 0.00 1.11 1.57 -1.01 -0.59 116.57 119.13 2pwe h LYS 113 Ca -0.01 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 2pwe h LYS 113 Cb 1.21 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2pwe h LYS 113 CO 0.13 0.61 -0.21 0.77 -0.57 0.00 0.00 179.45 180.18 2pwe h SER 114 N 0.95 0.17 -0.90 0.86 0.02 -1.03 -3.29 113.55 110.33 2pwe h SER 114 Ca 0.29 -0.80 0.17 0.00 -0.84 0.00 0.00 61.79 60.61 2pwe h SER 114 Cb -0.01 -0.05 -0.10 0.00 0.14 0.00 0.00 62.40 62.38 2pwe h SER 114 CO -0.08 0.95 0.48 -1.28 -1.14 0.00 0.00 176.83 175.76 2pwe h SER 115 N -0.59 0.56 1.08 3.07 0.87 -0.14 -1.44 113.55 116.96 2pwe h SER 115 Ca -0.03 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2pwe h SER 115 Cb 0.99 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2pwe h SER 115 CO 0.04 0.19 0.00 -2.11 -0.53 0.00 0.00 176.83 174.42 2pwe n ARG 116 N -4.88 0.06 -0.30 2.24 1.85 -0.27 -4.10 116.66 111.27 2pwe n ARG 116 Ca 0.20 0.06 -0.03 0.00 -1.00 0.00 0.00 57.85 57.08 2pwe n ARG 116 Cb 0.52 -1.57 0.08 0.00 -1.05 0.00 0.00 32.46 30.44 2pwe n ARG 116 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2pwe h ALA 117 N 2.86 1.04 -2.88 2.89 0.00 -1.32 -3.42 119.26 118.42 2pwe h ALA 117 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2pwe h ALA 117 Cb 0.54 -0.32 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 2pwe h ALA 117 CO 0.00 0.42 0.26 -1.54 0.00 0.00 0.00 179.25 178.39 2pwe s SER 118 N -5.91 -0.46 0.47 0.00 1.04 -1.26 -4.87 113.70 102.71 2pwe s SER 118 Ca -0.13 -0.14 0.31 0.00 0.48 0.00 0.00 55.95 56.47 2pwe s SER 118 Cb 0.16 0.60 1.25 0.00 0.10 0.00 0.00 66.02 68.12 2pwe s SER 118 CO 0.79 -1.00 1.91 0.11 0.98 0.00 0.00 173.24 176.02 2pwe h LYS 119 N 2.00 0.00 -0.31 4.02 1.57 -1.90 -2.91 116.57 119.05 2pwe h LYS 119 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2pwe h LYS 119 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2pwe h LYS 119 CO 0.33 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.81 2pwe n ASP 120 N -2.87 3.17 -4.77 0.86 5.75 -1.26 -4.87 116.55 112.57 2pwe n ASP 120 Ca 0.01 -1.96 -0.41 0.00 -0.01 0.00 0.00 54.79 52.43 2pwe n ASP 120 Cb 0.29 -0.20 -0.02 0.00 -1.03 0.00 0.00 41.12 40.17 2pwe n ASP 120 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2pwe s ASN 121 N -1.58 6.71 0.67 -1.12 3.84 -1.10 -4.88 114.94 117.48 2pwe s ASN 121 Ca 0.37 2.72 0.36 0.00 0.21 0.00 0.00 52.86 56.52 2pwe s ASN 121 Cb 0.22 -2.65 1.98 0.00 -0.55 0.00 0.00 41.25 40.25 2pwe s ASN 121 CO 0.31 -0.59 2.12 -0.65 -2.79 0.00 0.00 177.10 175.49 2pwe h PRO 122 N 3.56 0.00 -0.59 0.43 0.11 -1.92 -1.11 132.00 132.49 2pwe h PRO 122 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2pwe h PRO 122 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2pwe h PRO 122 CO 0.67 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.12 2pwe n TYR 123 N -2.99 0.85 -0.11 0.65 4.02 -1.26 -4.60 117.16 113.72 2pwe n TYR 123 Ca -0.02 -0.52 -0.05 0.00 -0.01 0.00 0.00 57.90 57.30 2pwe n TYR 123 Cb 0.25 -0.04 0.03 0.00 -0.02 0.00 0.00 39.34 39.55 2pwe n TYR 123 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2pwe h ARG 124 N 3.44 0.20 -0.78 -0.72 9.65 -1.39 -1.90 114.38 122.89 2pwe h ARG 124 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2pwe h ARG 124 Cb 0.96 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.49 2pwe h ARG 124 CO 0.03 0.13 0.00 -0.25 2.80 0.00 0.00 179.97 182.68 2pwe n ASP 125 N -5.09 2.00 0.05 -3.80 8.00 -1.26 -3.14 116.55 113.31 2pwe n ASP 125 Ca 0.02 -2.20 0.13 0.00 0.71 0.00 0.00 54.79 53.46 2pwe n ASP 125 Cb 0.17 -0.48 0.50 0.00 -0.02 0.00 0.00 41.12 41.29 2pwe n ASP 125 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2pwe n TYR 126 N 0.14 0.45 -4.29 1.24 4.02 -0.71 -4.61 117.16 113.40 2pwe n TYR 126 Ca 0.07 0.13 -0.15 0.00 -0.01 0.00 0.00 57.90 57.93 2pwe n TYR 126 Cb 0.43 -0.70 -0.05 0.00 -0.02 0.00 0.00 39.34 39.00 2pwe n TYR 126 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2pwe n TYR 127 N -1.87 -0.02 -3.77 -0.72 4.01 -1.19 -0.24 117.16 113.36 2pwe n TYR 127 Ca 0.06 -1.69 -0.37 0.00 -0.16 0.00 0.00 57.90 55.74 2pwe n TYR 127 Cb 0.38 0.03 -0.13 0.00 -0.31 0.00 0.00 39.34 39.32 2pwe n TYR 127 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2pwe s PHE 128 N -2.58 3.18 -0.09 -0.72 0.08 -1.26 -4.67 117.98 111.92 2pwe s PHE 128 Ca 0.15 -1.15 0.03 0.00 0.12 0.00 0.00 56.93 56.08 2pwe s PHE 128 Cb 0.01 -2.25 -0.01 0.00 -0.57 0.00 0.00 43.02 40.19 2pwe s PHE 128 CO 0.11 -0.63 -0.18 -1.58 -0.10 0.00 0.00 175.22 172.84 2pwe s TRP 129 N 1.46 2.66 0.01 0.36 0.52 -1.26 -2.05 118.94 120.64 2pwe s TRP 129 Ca 0.01 -0.61 -0.13 0.00 0.02 0.00 0.00 56.10 55.39 2pwe s TRP 129 Cb -0.18 -1.72 0.02 0.00 -1.15 0.00 0.00 33.47 30.44 2pwe s TRP 129 CO 0.02 -0.15 0.27 1.03 0.02 0.00 0.00 176.95 178.14 2pwe s ARG 130 N -0.02 0.68 0.37 4.98 1.81 0.13 -4.94 118.95 121.97 2pwe s ARG 130 Ca -0.05 -0.34 -0.26 0.00 -1.72 0.00 0.00 55.73 53.36 2pwe s ARG 130 Cb -0.14 0.29 -0.09 0.00 -0.45 0.00 0.00 34.95 34.56 2pwe s ARG 130 CO 0.05 -0.19 1.12 -0.51 -0.68 0.00 0.00 175.30 175.08 2pwe s ASP 131 N -1.58 6.77 1.03 0.23 1.01 -1.26 -0.61 116.67 122.25 2pwe s ASP 131 Ca -0.11 2.24 -0.13 0.00 0.71 0.00 0.00 52.55 55.26 2pwe s ASP 131 Cb -0.04 -2.61 0.21 0.00 1.01 0.00 0.00 42.92 41.49 2pwe s ASP 131 CO 0.01 -0.49 1.10 -0.83 0.21 0.00 0.00 175.17 175.16 2pwe s GLY 132 N -1.20 1.56 0.13 0.21 0.00 -1.26 -4.23 107.32 102.54 2pwe s GLY 132 Ca 0.54 -0.45 0.07 0.00 0.00 0.00 0.00 44.72 44.88 2pwe s GLY 132 CO 0.36 0.20 -0.16 0.54 0.00 0.00 0.00 173.10 174.04 2pwe s LYS 133 N -5.02 1.11 -1.48 2.90 3.01 0.69 -4.79 119.74 116.17 2pwe s LYS 133 Ca 0.66 -1.28 -0.12 0.00 -1.01 0.00 0.00 55.97 54.22 2pwe s LYS 133 Cb -0.18 -1.09 0.12 0.00 -1.01 0.00 0.00 37.83 35.67 2pwe s LYS 133 CO 0.57 0.22 0.31 -0.40 0.51 0.00 0.00 175.35 176.57 2pwe n ASP 134 N 0.54 -0.64 0.00 2.83 3.85 -1.26 0.58 116.55 122.45 2pwe n ASP 134 Ca -0.15 -1.06 0.00 0.00 -0.71 0.00 0.00 54.79 52.87 2pwe n ASP 134 Cb 0.57 -1.34 0.00 0.00 -1.35 0.00 0.00 41.12 38.99 2pwe n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2pwe n GLY 135 N -1.50 1.61 0.00 6.12 0.00 -1.26 -4.98 105.19 105.18 2pwe n GLY 135 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2pwe n GLY 135 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2pwe n HIS 136 N -2.00 0.00 -0.97 1.61 -0.00 0.20 -5.11 115.22 108.94 2pwe n HIS 136 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 2pwe n HIS 136 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.09 2pwe n HIS 136 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2pwe n GLU 137 N 0.00 -0.06 -0.12 -1.40 4.71 -1.26 -0.22 120.64 122.29 2pwe n GLU 137 Ca 0.00 0.03 0.16 0.00 -0.01 0.00 0.00 57.16 57.34 2pwe n GLU 137 Cb 0.00 -1.83 0.54 0.00 -1.01 0.00 0.00 31.44 29.14 2pwe n GLU 137 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 2pwe h PRO 138 N -1.11 0.32 0.00 3.49 0.11 -1.87 -2.89 132.00 130.05 2pwe h PRO 138 Ca -0.44 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.66 2pwe h PRO 138 Cb 1.31 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2pwe h PRO 138 CO 0.37 0.21 0.07 0.27 -0.21 0.00 0.00 178.00 178.71 2pwe n ASN 139 N -4.45 -0.38 -0.74 -2.05 0.23 -1.26 -4.60 115.26 102.00 2pwe n ASN 139 Ca 0.13 -1.24 0.03 0.00 -0.53 0.00 0.00 54.58 52.97 2pwe n ASN 139 Cb 0.52 0.63 0.13 0.00 -2.08 0.00 0.00 39.78 38.98 2pwe n ASN 139 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2pwe n ASN 140 N -0.95 2.06 -4.68 0.53 0.23 -1.26 -4.95 115.26 106.23 2pwe n ASN 140 Ca -0.01 -2.17 -0.45 0.00 -0.53 0.00 0.00 54.58 51.42 2pwe n ASN 140 Cb 0.11 -0.37 -0.04 0.00 -2.08 0.00 0.00 39.78 37.40 2pwe n ASN 140 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2pwe n TYR 141 N 0.25 2.44 -3.77 -2.53 4.02 -1.26 -4.88 117.16 111.44 2pwe n TYR 141 Ca 0.09 0.02 -0.23 0.00 -0.01 0.00 0.00 57.90 57.77 2pwe n TYR 141 Cb 0.41 -2.66 -0.02 0.00 -0.02 0.00 0.00 39.34 37.05 2pwe n TYR 141 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2pwe s PRO 142 N 2.49 3.46 0.02 -0.72 0.04 -1.26 -0.74 135.00 138.29 2pwe s PRO 142 Ca 0.84 -0.57 -0.04 0.00 0.04 0.00 0.00 61.00 61.26 2pwe s PRO 142 Cb -0.60 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 2pwe s PRO 142 CO 0.41 0.36 0.25 0.45 0.04 0.00 0.00 177.00 178.50 2pwe s SER 143 N -3.83 6.44 0.44 6.66 0.15 -0.28 -4.37 113.70 118.91 2pwe s SER 143 Ca 0.36 0.46 0.12 0.00 0.70 0.00 0.00 55.95 57.60 2pwe s SER 143 Cb -0.10 -2.05 1.01 0.00 -1.71 0.00 0.00 66.02 63.18 2pwe s SER 143 CO 0.31 0.22 2.04 -0.26 1.20 0.00 0.00 173.24 176.75 2pwe h PHE 144 N 3.70 0.38 -0.63 3.44 0.04 -1.36 -2.71 116.94 119.81 2pwe h PHE 144 Ca -0.49 0.01 -0.22 0.00 2.80 0.00 0.00 57.97 60.08 2pwe h PHE 144 Cb 1.19 -0.13 -0.13 0.00 2.20 0.00 0.00 35.95 39.08 2pwe h PHE 144 CO 0.66 0.21 0.22 1.19 -0.60 0.00 0.00 178.31 179.99 2pwe n PHE 145 N -4.48 2.06 0.00 -0.55 3.72 -1.26 -4.90 117.46 112.05 2pwe n PHE 145 Ca 0.05 -1.31 0.00 0.00 -0.05 0.00 0.00 57.45 56.14 2pwe n PHE 145 Cb 0.21 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.12 2pwe n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pwe n GLY 146 N -0.52 2.27 7.00 1.37 0.00 -1.02 -4.10 105.19 110.19 2pwe n GLY 146 Ca 0.39 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2pwe n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pwe n GLY 147 N 2.02 -1.07 3.80 -0.02 0.00 -1.26 -4.60 105.19 104.06 2pwe n GLY 147 Ca 0.00 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 2pwe n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pwe s SER 148 N -4.00 5.91 0.00 1.61 0.15 -1.26 -1.13 113.70 114.98 2pwe s SER 148 Ca 0.00 1.90 0.19 0.00 0.70 0.00 0.00 55.95 58.75 2pwe s SER 148 Cb 0.00 -2.55 0.79 0.00 -1.71 0.00 0.00 66.02 62.55 2pwe s SER 148 CO 0.00 -1.08 1.56 0.00 1.20 0.00 0.00 173.24 174.92 2pwe n ALA 149 N -1.64 2.53 -3.33 5.45 0.00 0.08 -4.24 120.51 119.37 2pwe n ALA 149 Ca 0.09 -0.43 -0.33 0.00 0.00 0.00 0.00 53.44 52.77 2pwe n ALA 149 Cb 0.52 -1.12 -0.16 0.00 0.00 0.00 0.00 19.45 18.69 2pwe n ALA 149 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2pwe s TRP 150 N -1.82 2.72 -0.14 0.00 0.52 -1.26 0.33 118.94 119.28 2pwe s TRP 150 Ca 0.30 -0.98 0.01 0.00 0.02 0.00 0.00 56.10 55.46 2pwe s TRP 150 Cb 0.16 -1.83 0.00 0.00 -1.15 0.00 0.00 33.47 30.65 2pwe s TRP 150 CO 0.24 -0.41 -0.18 -2.00 0.02 0.00 0.00 176.95 174.62 2pwe s GLU 151 N 0.59 3.15 0.16 4.98 2.56 0.08 -4.91 118.70 125.31 2pwe s GLU 151 Ca -0.10 -0.79 -0.30 0.00 0.00 0.00 0.00 54.97 53.77 2pwe s GLU 151 Cb -0.16 -2.52 -0.07 0.00 2.00 0.00 0.00 34.13 33.38 2pwe s GLU 151 CO 0.03 0.05 1.03 0.21 -0.56 0.00 0.00 175.26 176.02 2pwe s LYS 152 N 0.71 4.67 -0.30 4.30 2.20 -1.26 -0.47 119.74 129.59 2pwe s LYS 152 Ca -0.08 1.59 -0.01 0.00 -0.36 0.00 0.00 55.97 57.10 2pwe s LYS 152 Cb -0.16 -3.32 0.05 0.00 -1.51 0.00 0.00 37.83 32.89 2pwe s LYS 152 CO 0.01 0.18 -0.01 0.34 -0.36 0.00 0.00 175.35 175.51 2pwe s ASP 153 N -0.20 4.84 0.66 1.43 -1.08 0.17 -4.95 116.67 117.55 2pwe s ASP 153 Ca 0.47 -1.26 0.42 0.00 -0.52 0.00 0.00 52.55 51.66 2pwe s ASP 153 Cb -0.27 -1.70 2.29 0.00 -1.46 0.00 0.00 42.92 41.78 2pwe s ASP 153 CO 0.33 -0.25 2.30 1.55 0.52 0.00 0.00 175.17 179.62 2pwe h PRO 154 N 7.98 0.00 -0.03 4.34 0.13 -1.94 0.15 132.00 142.64 2pwe h PRO 154 Ca -0.21 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 2pwe h PRO 154 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2pwe h PRO 154 CO 0.53 0.00 -0.01 0.28 -0.23 0.00 0.00 178.00 178.57 2pwe h VAL 155 N 0.00 1.03 0.00 1.56 2.07 -1.94 -3.30 116.25 115.67 2pwe h VAL 155 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2pwe h VAL 155 Cb 0.10 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2pwe h VAL 155 CO -0.00 0.03 0.00 0.35 0.02 0.00 0.00 177.57 177.97 2pwe n THR 156 N -4.50 0.00 -0.93 2.57 -2.24 -0.85 -4.94 114.28 103.39 2pwe n THR 156 Ca -0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2pwe n THR 156 Cb 0.11 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2pwe n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwe n GLY 157 N 0.26 1.00 3.95 3.38 0.00 0.48 -5.01 105.19 109.25 2pwe n GLY 157 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2pwe n GLY 157 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pwe s GLN 158 N -0.06 2.84 -0.09 1.61 -0.21 -1.24 -4.73 119.66 117.77 2pwe s GLN 158 Ca 0.00 -1.24 -0.02 0.00 0.02 0.00 0.00 55.36 54.12 2pwe s GLN 158 Cb 0.00 -2.66 -0.03 0.00 1.00 0.00 0.00 33.01 31.32 2pwe s GLN 158 CO 0.00 -0.10 0.00 0.71 -2.12 0.00 0.00 175.29 173.78 2pwe s TYR 159 N -2.32 3.16 0.07 0.91 1.51 0.21 -0.65 117.35 120.24 2pwe s TYR 159 Ca 0.49 0.16 0.03 0.00 -1.01 0.00 0.00 57.07 56.74 2pwe s TYR 159 Cb -0.08 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 2pwe s TYR 159 CO 0.30 0.43 0.03 1.52 -1.11 0.00 0.00 175.55 176.73 2pwe s TYR 160 N -0.76 3.09 0.13 2.71 -0.85 0.38 -0.69 117.35 121.37 2pwe s TYR 160 Ca 0.12 0.04 -0.26 0.00 -0.52 0.00 0.00 57.07 56.45 2pwe s TYR 160 Cb -0.12 -1.60 -0.07 0.00 0.38 0.00 0.00 41.96 40.56 2pwe s TYR 160 CO 0.02 0.50 0.81 -1.17 -1.52 0.00 0.00 175.55 174.19 2pwe s LEU 161 N -2.20 4.55 -0.27 -3.49 2.96 -0.87 -0.74 118.68 118.63 2pwe s LEU 161 Ca 0.26 1.63 -0.00 0.00 -0.22 0.00 0.00 54.13 55.80 2pwe s LEU 161 Cb -0.12 -3.34 0.14 0.00 0.50 0.00 0.00 46.19 43.37 2pwe s LEU 161 CO 0.18 0.12 0.36 -1.38 -1.32 0.00 0.00 176.35 174.31 2pwe s HIS 162 N -0.70 -0.78 0.43 5.38 -3.43 0.15 -1.32 115.29 115.02 2pwe s HIS 162 Ca 0.38 0.38 0.12 0.00 -0.80 0.00 0.00 55.06 55.14 2pwe s HIS 162 Cb -0.23 -0.18 0.94 0.00 -1.43 0.00 0.00 32.58 31.68 2pwe s HIS 162 CO 0.26 -0.86 1.98 1.88 -2.00 0.00 0.00 174.74 176.01 2pwe h TYR 163 N 8.20 0.12 0.00 0.38 0.05 -1.80 -3.40 116.97 120.51 2pwe h TYR 163 Ca -0.14 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.63 2pwe h TYR 163 Cb 1.12 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.83 2pwe h TYR 163 CO 0.21 0.24 0.00 1.19 -1.05 0.00 0.00 178.16 178.75 2pwe n PHE 164 N -4.33 0.00 -1.01 4.88 3.72 -1.26 -1.05 117.46 118.41 2pwe n PHE 164 Ca -0.02 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.04 2pwe n PHE 164 Cb 0.23 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.87 2pwe n PHE 164 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pwe n GLY 165 N 5.00 -1.50 0.23 1.37 0.00 -1.26 -4.57 105.19 104.46 2pwe n GLY 165 Ca 0.00 -0.58 0.15 0.00 0.00 0.00 0.00 46.02 45.60 2pwe n GLY 165 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2pwe h ARG 166 N -1.03 0.00 -0.68 1.61 0.11 -1.94 -2.04 114.38 110.40 2pwe h ARG 166 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2pwe h ARG 166 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 2pwe h ARG 166 CO 0.39 0.00 0.00 1.04 0.10 0.00 0.00 179.97 181.50 2pwe n GLN 167 N -2.82 3.55 -3.24 0.08 6.02 -1.26 -4.42 117.38 115.28 2pwe n GLN 167 Ca 0.02 -2.17 -0.25 0.00 -0.01 0.00 0.00 57.00 54.58 2pwe n GLN 167 Cb 0.31 -1.96 -0.07 0.00 1.02 0.00 0.00 30.24 29.55 2pwe n GLN 167 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2pwe n GLN 168 N 0.52 1.67 -1.81 -1.09 6.02 -0.77 -1.50 117.38 120.42 2pwe n GLN 168 Ca 0.19 -3.94 -0.42 0.00 -0.01 0.00 0.00 57.00 52.83 2pwe n GLN 168 Cb 0.86 -1.76 -0.02 0.00 1.02 0.00 0.00 30.24 30.34 2pwe n GLN 168 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2pwe s PRO 169 N -2.05 4.15 0.24 -1.09 0.04 -1.13 -4.53 135.00 130.62 2pwe s PRO 169 Ca 0.39 2.53 -0.30 0.00 0.04 0.00 0.00 61.00 63.66 2pwe s PRO 169 Cb 0.20 -3.05 -0.09 0.00 0.04 0.00 0.00 34.50 31.60 2pwe s PRO 169 CO -0.07 -0.62 1.31 -0.51 0.04 0.00 0.00 177.00 177.16 2pwe s ASP 170 N 0.58 6.86 0.36 6.66 1.11 -0.43 -1.89 116.67 129.92 2pwe s ASP 170 Ca 0.64 2.50 -0.25 0.00 0.18 0.00 0.00 52.55 55.62 2pwe s ASP 170 Cb -0.47 -2.62 -0.10 0.00 1.07 0.00 0.00 42.92 40.80 2pwe s ASP 170 CO 0.45 -0.53 0.98 -0.76 1.18 0.00 0.00 175.17 176.49 2pwe s LEU 171 N -0.62 4.23 -0.89 1.23 1.43 0.34 -4.02 118.68 120.38 2pwe s LEU 171 Ca 0.54 1.89 -0.17 0.00 -1.03 0.00 0.00 54.13 55.37 2pwe s LEU 171 Cb -0.38 -4.13 0.17 0.00 0.03 0.00 0.00 46.19 41.88 2pwe s LEU 171 CO 0.42 -0.25 0.98 0.21 0.23 0.00 0.00 176.35 177.94 2pwe s ASN 172 N -1.66 6.70 0.12 2.29 3.84 0.66 -4.88 114.94 122.02 2pwe s ASN 172 Ca 0.54 -2.36 0.15 0.00 0.21 0.00 0.00 52.86 51.40 2pwe s ASN 172 Cb -0.19 -2.32 0.66 0.00 -0.55 0.00 0.00 41.25 38.86 2pwe s ASN 172 CO 0.24 -0.84 1.46 0.79 -2.79 0.00 0.00 177.10 175.96 2pwe n TRP 173 N 5.38 0.33 1.00 0.43 7.02 -1.26 -2.09 117.44 128.24 2pwe n TRP 173 Ca 0.20 0.15 0.13 0.00 -1.02 0.00 0.00 57.50 56.95 2pwe n TRP 173 Cb 0.48 -0.74 0.59 0.00 -2.42 0.00 0.00 31.31 29.22 2pwe n TRP 173 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2pwe n ASP 174 N -1.82 0.00 -4.48 -0.99 8.00 -1.26 -4.63 116.55 111.37 2pwe n ASP 174 Ca 0.02 0.32 -0.42 0.00 0.71 0.00 0.00 54.79 55.41 2pwe n ASP 174 Cb 0.12 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 40.69 2pwe n ASP 174 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2pwe s THR 175 N -2.87 5.25 0.26 -3.53 2.01 -0.89 -4.99 115.64 110.88 2pwe s THR 175 Ca 0.16 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 2pwe s THR 175 Cb 0.17 -3.89 0.24 0.00 0.01 0.00 0.00 72.50 69.03 2pwe s THR 175 CO 0.45 -0.25 1.75 -0.65 -0.69 0.00 0.00 174.62 175.23 2pwe h PRO 176 N 8.61 0.56 -0.39 4.92 0.11 -1.87 -1.66 132.00 142.28 2pwe h PRO 176 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2pwe h PRO 176 Cb 1.13 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 2pwe h PRO 176 CO 0.72 0.37 0.25 0.87 -0.21 0.00 0.00 178.00 179.99 2pwe h LYS 177 N 0.58 0.52 -0.21 1.05 1.57 -1.95 -0.04 116.57 118.09 2pwe h LYS 177 Ca 0.46 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 59.06 2pwe h LYS 177 Cb 0.66 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2pwe h LYS 177 CO -0.38 0.35 -0.41 1.25 -0.57 0.00 0.00 179.45 179.69 2pwe h LEU 178 N 0.53 0.73 -0.87 2.94 7.12 -1.62 -2.05 115.31 122.10 2pwe h LEU 178 Ca 0.14 -0.55 -0.01 0.00 0.13 0.00 0.00 57.88 57.60 2pwe h LEU 178 Cb -0.04 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 39.84 2pwe h LEU 178 CO -0.03 1.14 0.51 0.03 -0.13 0.00 0.00 178.44 179.96 2pwe h ARG 179 N 0.35 1.19 -0.28 1.25 3.08 -0.91 -1.17 114.38 117.89 2pwe h ARG 179 Ca 0.01 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 2pwe h ARG 179 Cb 1.02 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 2pwe h ARG 179 CO 0.09 0.85 -0.20 0.93 -1.07 0.00 0.00 179.97 180.57 2pwe h GLU 180 N 1.20 0.50 -0.65 0.04 4.39 -0.96 -0.26 114.58 118.84 2pwe h GLU 180 Ca 0.31 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.75 2pwe h GLU 180 Cb -0.02 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2pwe h GLU 180 CO -0.05 0.68 0.07 0.93 -1.16 0.00 0.00 179.01 179.47 2pwe h GLU 181 N 0.45 1.11 -0.76 2.33 5.08 -0.61 -1.33 114.58 120.85 2pwe h GLU 181 Ca 0.07 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 2pwe h GLU 181 Cb 0.60 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2pwe h GLU 181 CO 0.04 1.04 0.30 -0.07 -1.00 0.00 0.00 179.01 179.32 2pwe h LEU 182 N 1.03 1.05 -0.51 1.33 3.38 -0.64 -0.14 115.31 120.80 2pwe h LEU 182 Ca 0.19 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2pwe h LEU 182 Cb 0.49 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2pwe h LEU 182 CO 0.02 0.93 -0.19 1.88 0.09 0.00 0.00 178.44 181.17 2pwe h TYR 183 N 1.11 1.16 -0.36 1.13 0.05 -0.68 -0.71 116.97 118.67 2pwe h TYR 183 Ca 0.25 -0.27 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 2pwe h TYR 183 Cb 0.21 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 2pwe h TYR 183 CO 0.02 1.10 -0.09 0.00 -1.05 0.00 0.00 178.16 178.14 2pwe h ALA 184 N 0.89 1.16 -0.47 3.88 0.00 -0.95 -1.76 119.26 122.00 2pwe h ALA 184 Ca 0.12 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2pwe h ALA 184 Cb 0.77 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2pwe h ALA 184 CO 0.06 0.53 -0.22 1.98 0.00 0.00 0.00 179.25 181.61 2pwe h MET 185 N 0.57 0.98 -0.75 0.00 1.85 -0.73 -2.34 114.93 114.52 2pwe h MET 185 Ca 0.11 -0.43 -0.04 0.00 -0.61 0.00 0.00 59.70 58.73 2pwe h MET 185 Cb 0.50 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.47 2pwe h MET 185 CO 0.03 1.10 0.31 -0.07 -0.40 0.00 0.00 176.91 177.88 2pwe h LEU 186 N 0.84 1.02 -1.36 3.39 3.38 -0.69 -2.61 115.31 119.27 2pwe h LEU 186 Ca 0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2pwe h LEU 186 Cb 0.80 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2pwe h LEU 186 CO 0.07 0.91 0.23 0.03 0.09 0.00 0.00 178.44 179.76 2pwe h ARG 187 N 1.07 0.67 -0.67 1.13 3.08 -1.14 -0.79 114.38 117.73 2pwe h ARG 187 Ca 0.25 -0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.33 2pwe h ARG 187 Cb 0.19 -0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.03 2pwe h ARG 187 CO -0.02 0.52 0.28 0.35 -1.07 0.00 0.00 179.97 180.03 2pwe h PHE 188 N 0.67 0.49 0.13 3.04 3.57 -1.03 0.34 116.94 124.15 2pwe h PHE 188 Ca 0.17 0.03 -0.29 0.00 3.53 0.00 0.00 57.97 61.41 2pwe h PHE 188 Cb 0.07 -0.12 0.02 0.00 2.79 0.00 0.00 35.95 38.72 2pwe h PHE 188 CO 0.01 0.13 -1.25 -1.49 -2.23 0.00 0.00 178.31 173.48 2pwe h TRP 189 N 0.48 0.89 -0.34 0.41 4.06 -1.35 -3.27 115.95 116.82 2pwe h TRP 189 Ca 0.34 -0.57 -0.05 0.00 2.06 0.00 0.00 58.89 60.67 2pwe h TRP 189 Cb 0.43 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.51 2pwe h TRP 189 CO -0.15 1.42 -0.02 -0.07 -3.56 0.00 0.00 178.44 176.07 2pwe h LEU 190 N 0.22 0.50 -1.48 -4.49 3.38 -0.67 -1.34 115.31 111.43 2pwe h LEU 190 Ca -0.18 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2pwe h LEU 190 Cb 1.93 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2pwe h LEU 190 CO 0.23 0.59 0.00 0.44 0.09 0.00 0.00 178.44 179.79 2pwe h ASP 191 N 0.51 0.00 0.18 -0.43 3.32 -0.42 -1.42 116.42 118.15 2pwe h ASP 191 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2pwe h ASP 191 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2pwe h ASP 191 CO 0.01 0.00 -0.08 0.29 -1.72 0.00 0.00 179.24 177.74 2pwe n LYS 192 N -2.74 1.04 0.00 3.56 5.02 -0.51 -4.93 118.16 119.61 2pwe n LYS 192 Ca 0.00 -0.45 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 2pwe n LYS 192 Cb 0.21 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2pwe n LYS 192 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pwe n GLY 193 N 1.22 0.52 3.56 0.72 0.00 -0.54 -5.07 105.19 105.61 2pwe n GLY 193 Ca 0.17 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.66 2pwe n GLY 193 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pwe n VAL 194 N -1.66 0.23 0.38 1.61 0.31 -1.23 -4.89 118.33 113.08 2pwe n VAL 194 Ca 0.00 -0.06 0.12 0.00 -0.01 0.00 0.00 64.34 64.39 2pwe n VAL 194 Cb 0.00 -0.62 0.09 0.00 -0.91 0.00 0.00 33.84 32.41 2pwe n VAL 194 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2pwe h SER 195 N 3.88 0.00 -5.05 4.52 0.02 -1.63 -3.44 113.55 111.84 2pwe h SER 195 Ca -0.47 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.31 2pwe h SER 195 Cb 1.36 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.78 2pwe h SER 195 CO 0.73 0.07 0.05 -0.83 -1.14 0.00 0.00 176.83 175.71 2pwe s GLY 196 N -3.94 -0.32 -0.03 -3.77 0.00 -0.96 -0.90 107.32 97.40 2pwe s GLY 196 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 44.72 44.80 2pwe s GLY 196 CO 0.75 -0.15 0.06 1.06 0.00 0.00 0.00 173.10 174.82 2pwe s MET 197 N -3.81 0.01 -0.23 2.90 1.00 0.05 -1.86 119.30 117.36 2pwe s MET 197 Ca 0.04 0.20 -0.06 0.00 0.00 0.00 0.00 55.69 55.87 2pwe s MET 197 Cb -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 34.83 34.63 2pwe s MET 197 CO -0.09 -0.14 0.03 0.50 0.00 0.00 0.00 175.02 175.32 2pwe s ARG 198 N 0.88 3.59 -0.44 2.03 3.00 -0.70 -0.61 118.95 126.70 2pwe s ARG 198 Ca -0.07 -0.52 -0.21 0.00 -1.00 0.00 0.00 55.73 53.93 2pwe s ARG 198 Cb -0.10 -3.20 0.02 0.00 0.00 0.00 0.00 34.95 31.67 2pwe s ARG 198 CO -0.03 -0.15 0.64 -0.06 0.00 0.00 0.00 175.30 175.70 2pwe s PHE 199 N 1.45 3.07 0.14 5.12 0.40 0.16 -0.40 117.98 127.92 2pwe s PHE 199 Ca 0.05 -0.05 -0.32 0.00 -0.60 0.00 0.00 56.93 56.01 2pwe s PHE 199 Cb -0.15 -3.34 -0.12 0.00 0.51 0.00 0.00 43.02 39.93 2pwe s PHE 199 CO 0.02 -0.86 1.77 -3.47 0.70 0.00 0.00 175.22 173.37 2pwe n ASP 200 N 6.25 3.86 -3.45 1.36 2.03 0.29 -0.75 116.55 126.14 2pwe n ASP 200 Ca -0.02 1.02 -0.18 0.00 0.52 0.00 0.00 54.79 56.13 2pwe n ASP 200 Cb 0.48 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 2pwe n ASP 200 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2pwe n THR 201 N 4.31 -1.88 0.24 5.18 5.66 -1.19 -4.62 114.28 121.97 2pwe n THR 201 Ca 0.17 -0.09 0.13 0.00 -3.05 0.00 0.00 64.05 61.22 2pwe n THR 201 Cb 0.35 -1.66 0.42 0.00 -1.55 0.00 0.00 70.33 67.89 2pwe n THR 201 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 2pwe h VAL 202 N 0.06 0.18 -0.00 1.08 3.04 -1.40 -3.19 116.25 116.02 2pwe h VAL 202 Ca -0.41 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 64.36 2pwe h VAL 202 Cb 0.86 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 2pwe h VAL 202 CO 0.25 0.08 -0.06 0.00 -1.01 0.00 0.00 177.57 176.83 2pwe n ALA 203 N -2.13 2.61 -0.13 3.17 0.00 -1.26 -3.78 120.51 118.99 2pwe n ALA 203 Ca 0.02 -0.19 0.10 0.00 0.00 0.00 0.00 53.44 53.37 2pwe n ALA 203 Cb 0.44 -1.42 0.25 0.00 0.00 0.00 0.00 19.45 18.72 2pwe n ALA 203 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2pwe n THR 204 N -1.21 0.84 -0.34 0.00 -2.24 -1.20 -4.16 114.28 105.96 2pwe n THR 204 Ca 0.13 -0.92 -0.02 0.00 -2.27 0.00 0.00 64.05 60.98 2pwe n THR 204 Cb 0.27 0.65 0.14 0.00 -2.10 0.00 0.00 70.33 69.29 2pwe n THR 204 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2pwe h TYR 205 N 3.85 1.20 -3.38 4.78 0.05 -1.77 -3.41 116.97 118.29 2pwe h TYR 205 Ca 0.00 0.02 -0.58 0.00 0.05 0.00 0.00 58.73 58.22 2pwe h TYR 205 Cb 0.92 -0.40 -0.08 0.00 1.01 0.00 0.00 36.73 38.18 2pwe h TYR 205 CO 0.36 0.76 0.16 0.45 -1.05 0.00 0.00 178.16 178.84 2pwe s SER 206 N -6.19 6.80 0.24 3.88 0.15 -1.26 -4.54 113.70 112.78 2pwe s SER 206 Ca -0.13 0.98 -0.03 0.00 0.70 0.00 0.00 55.95 57.47 2pwe s SER 206 Cb 0.18 -2.38 -0.05 0.00 -1.71 0.00 0.00 66.02 62.06 2pwe s SER 206 CO 0.81 -0.25 0.47 -0.54 1.20 0.00 0.00 173.24 174.93 2pwe s LYS 207 N 1.67 3.59 -0.09 5.44 3.01 -1.26 -3.33 119.74 128.77 2pwe s LYS 207 Ca 0.32 -0.13 -0.30 0.00 -1.01 0.00 0.00 55.97 54.86 2pwe s LYS 207 Cb -0.16 -2.74 -0.02 0.00 -1.01 0.00 0.00 37.83 33.90 2pwe s LYS 207 CO 0.12 0.31 1.07 0.99 0.51 0.00 0.00 175.35 178.35 2pwe s THR 208 N -1.96 4.62 0.27 2.17 2.01 -1.26 -4.48 115.64 117.01 2pwe s THR 208 Ca 0.42 1.90 -0.30 0.00 0.31 0.00 0.00 61.69 64.02 2pwe s THR 208 Cb -0.11 -4.22 -0.13 0.00 0.01 0.00 0.00 72.50 68.05 2pwe s THR 208 CO 0.29 -0.00 1.47 -2.65 -0.69 0.00 0.00 174.62 173.04 2pwe n PRO 209 N 5.09 2.32 0.00 4.92 -0.02 -1.26 -1.82 135.00 144.23 2pwe n PRO 209 Ca 0.09 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2pwe n PRO 209 Cb 0.48 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2pwe n PRO 209 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pwe n GLY 210 N 2.00 2.38 4.25 -1.23 0.00 -1.26 -4.47 105.19 106.86 2pwe n GLY 210 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2pwe n GLY 210 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pwe n PHE 211 N -2.00 -1.31 -1.59 1.61 3.72 -0.76 -4.88 117.46 112.25 2pwe n PHE 211 Ca 0.00 0.51 -0.32 0.00 -0.05 0.00 0.00 57.45 57.59 2pwe n PHE 211 Cb 0.00 -2.86 0.06 0.00 -0.94 0.00 0.00 39.48 35.74 2pwe n PHE 211 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2pwe s PRO 212 N -7.34 2.66 0.58 -1.08 0.04 -1.26 -4.76 135.00 123.83 2pwe s PRO 212 Ca 0.10 1.26 -0.20 0.00 0.04 0.00 0.00 61.00 62.20 2pwe s PRO 212 Cb -0.05 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2pwe s PRO 212 CO 0.99 -1.34 1.23 -0.25 0.04 0.00 0.00 177.00 177.67 2pwe n ASP 213 N -2.83 2.01 -4.82 6.66 8.00 -1.26 -4.90 116.55 119.40 2pwe n ASP 213 Ca 0.10 0.90 -0.33 0.00 0.71 0.00 0.00 54.79 56.17 2pwe n ASP 213 Cb 0.53 -1.52 -0.05 0.00 -0.02 0.00 0.00 41.12 40.05 2pwe n ASP 213 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pwe s LEU 214 N -3.23 3.84 0.76 0.64 1.43 -1.26 -5.01 118.68 115.86 2pwe s LEU 214 Ca 0.75 1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 55.46 2pwe s LEU 214 Cb -0.41 -4.54 0.05 0.00 0.03 0.00 0.00 46.19 41.31 2pwe s LEU 214 CO 0.46 -0.51 1.08 0.42 0.23 0.00 0.00 176.35 178.03 2pwe s THR 215 N -2.24 3.43 0.33 5.49 -4.23 -1.26 -4.77 115.64 112.39 2pwe s THR 215 Ca 0.62 0.46 0.05 0.00 -1.18 0.00 0.00 61.69 61.65 2pwe s THR 215 Cb -0.11 -3.21 0.30 0.00 1.34 0.00 0.00 72.50 70.82 2pwe s THR 215 CO 0.19 -0.61 1.89 -0.65 -0.54 0.00 0.00 174.62 174.90 2pwe h PRO 216 N -0.95 0.81 -0.33 3.99 0.11 -1.99 0.48 132.00 134.13 2pwe h PRO 216 Ca -0.46 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 2pwe h PRO 216 Cb 1.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2pwe h PRO 216 CO 0.58 0.53 0.02 0.93 -0.21 0.00 0.00 178.00 179.86 2pwe h GLU 217 N 0.83 0.56 -0.65 1.05 3.07 -2.01 -2.67 114.58 114.76 2pwe h GLU 217 Ca 0.42 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 59.08 2pwe h GLU 217 Cb 0.48 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.30 2pwe h GLU 217 CO -0.18 0.67 0.28 1.96 -1.40 0.00 0.00 179.01 180.34 2pwe h GLN 218 N 0.37 0.94 -0.02 2.33 4.20 -1.63 0.41 115.11 121.71 2pwe h GLN 218 Ca 0.09 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.67 2pwe h GLN 218 Cb 0.41 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 2pwe h GLN 218 CO 0.01 0.75 0.02 0.52 -0.67 0.00 0.00 178.83 179.47 2pwe h MET 219 N 0.93 0.00 -0.07 1.46 2.86 -0.62 -0.03 114.93 119.46 2pwe h MET 219 Ca 0.22 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.76 2pwe h MET 219 Cb 0.15 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2pwe h MET 219 CO -0.02 0.00 -0.41 0.87 1.06 0.00 0.00 176.91 178.41 2pwe h LYS 220 N 0.00 0.14 -2.04 1.72 6.56 -0.60 -3.31 116.57 119.04 2pwe h LYS 220 Ca 0.01 -0.06 -0.54 0.00 -1.06 0.00 0.00 60.65 59.00 2pwe h LYS 220 Cb 0.05 -0.00 -0.40 0.00 -0.57 0.00 0.00 32.23 31.31 2pwe h LYS 220 CO -0.00 0.53 -1.05 -1.71 -2.06 0.00 0.00 179.45 175.16 2pwe n ASN 221 N -4.03 1.14 0.18 0.86 4.05 -0.19 -4.73 115.26 112.53 2pwe n ASN 221 Ca -0.02 -2.97 0.04 0.00 0.45 0.00 0.00 54.58 52.09 2pwe n ASN 221 Cb 0.46 -0.63 0.44 0.00 1.23 0.00 0.00 39.78 41.29 2pwe n ASN 221 CO 0.00 0.00 0.00 2.19 -3.05 0.00 0.00 177.26 176.40 2pwe h PHE 222 N 3.57 0.09 -0.90 1.20 -5.15 -1.21 -2.01 116.94 112.53 2pwe h PHE 222 Ca 0.10 -0.01 0.16 0.00 -0.20 0.00 0.00 57.97 58.02 2pwe h PHE 222 Cb 0.86 -0.03 -0.07 0.00 0.22 0.00 0.00 35.95 36.93 2pwe h PHE 222 CO 0.48 0.27 0.58 0.00 -2.00 0.00 0.00 178.31 177.64 2pwe h ALA 223 N 1.73 1.88 -0.15 12.09 0.00 -1.92 -0.33 119.26 132.57 2pwe h ALA 223 Ca 0.02 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 2pwe h ALA 223 Cb 0.38 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2pwe h ALA 223 CO 0.03 -0.14 -0.67 1.49 0.00 0.00 0.00 179.25 179.95 2pwe h GLU 224 N 0.65 0.58 -0.42 0.00 4.81 -1.43 -3.16 114.58 115.60 2pwe h GLU 224 Ca 0.46 -0.43 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2pwe h GLU 224 Cb 0.82 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 2pwe h GLU 224 CO -0.22 1.05 0.06 0.00 -0.73 0.00 0.00 179.01 179.17 2pwe h ALA 225 N 0.84 1.31 0.00 2.92 0.00 -1.07 -2.17 119.26 121.09 2pwe h ALA 225 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2pwe h ALA 225 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2pwe h ALA 225 CO 0.13 0.48 0.00 0.66 0.00 0.00 0.00 179.25 180.51 2pwe n TYR 226 N -4.28 0.00 0.02 0.00 4.01 -0.75 -2.25 117.16 113.91 2pwe n TYR 226 Ca 0.02 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.87 2pwe n TYR 226 Cb 0.23 -0.41 0.28 0.00 -0.31 0.00 0.00 39.34 39.14 2pwe n TYR 226 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2pwe n THR 227 N -1.41 0.81 -1.28 -0.72 -2.24 -0.81 -4.23 114.28 104.40 2pwe n THR 227 Ca 0.06 -0.84 -0.08 0.00 -2.27 0.00 0.00 64.05 60.93 2pwe n THR 227 Cb 0.19 0.47 0.22 0.00 -2.10 0.00 0.00 70.33 69.10 2pwe n THR 227 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pwe n GLN 228 N 1.36 2.36 -1.80 -0.78 1.13 -0.96 -4.88 117.38 113.82 2pwe n GLN 228 Ca 0.21 -3.08 -0.41 0.00 -1.94 0.00 0.00 57.00 51.77 2pwe n GLN 228 Cb 0.54 -1.97 -0.01 0.00 0.11 0.00 0.00 30.24 28.91 2pwe n GLN 228 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2pwe s GLY 229 N -1.94 2.44 0.27 1.08 0.00 -1.21 -4.90 107.32 103.06 2pwe s GLY 229 Ca 0.49 1.56 0.23 0.00 0.00 0.00 0.00 44.72 47.00 2pwe s GLY 229 CO 0.06 2.43 1.69 -1.55 0.00 0.00 0.00 173.10 175.72 2pwe n PRO 230 N 1.53 0.18 -0.15 2.90 -0.04 -1.26 -3.07 135.00 135.08 2pwe n PRO 230 Ca 0.05 0.48 0.08 0.00 -0.04 0.00 0.00 63.50 64.07 2pwe n PRO 230 Cb 0.38 -1.89 0.16 0.00 -0.04 0.00 0.00 33.50 32.11 2pwe n PRO 230 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2pwe n ASN 231 N -2.23 2.92 -0.13 3.54 3.02 -1.26 -4.77 115.26 116.34 2pwe n ASN 231 Ca 0.01 -1.87 -0.13 0.00 -0.03 0.00 0.00 54.58 52.57 2pwe n ASN 231 Cb 0.18 -0.20 -0.08 0.00 -0.61 0.00 0.00 39.78 39.07 2pwe n ASN 231 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2pwe h LEU 232 N 2.94 -1.71 -1.11 3.41 5.85 -1.88 -0.88 115.31 121.92 2pwe h LEU 232 Ca 0.00 0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 2pwe h LEU 232 Cb 0.76 0.71 -0.00 0.00 0.37 0.00 0.00 40.66 42.50 2pwe h LEU 232 CO 0.00 -0.40 -0.10 0.45 -0.34 0.00 0.00 178.44 178.05 2pwe h HIS 233 N -0.39 0.00 -0.22 1.25 3.86 -1.87 -0.35 115.15 117.44 2pwe h HIS 233 Ca 0.09 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.16 2pwe h HIS 233 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 2pwe h HIS 233 CO -0.68 0.10 -0.44 -0.09 0.86 0.00 0.00 177.93 177.68 2pwe h ARG 234 N 0.00 0.68 -0.41 2.45 2.43 -1.78 -1.18 114.38 116.58 2pwe h ARG 234 Ca -0.00 -0.44 -0.06 0.00 -0.81 0.00 0.00 59.98 58.66 2pwe h ARG 234 Cb 0.69 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2pwe h ARG 234 CO 0.01 1.07 0.01 1.88 -1.51 0.00 0.00 179.97 181.43 2pwe h TYR 235 N 0.39 0.78 -0.42 2.20 0.05 -0.38 -0.68 116.97 118.91 2pwe h TYR 235 Ca 0.01 -0.13 -0.09 0.00 0.05 0.00 0.00 58.73 58.56 2pwe h TYR 235 Cb 1.05 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.56 2pwe h TYR 235 CO 0.09 0.78 -0.11 -0.07 -1.05 0.00 0.00 178.16 177.80 2pwe h LEU 236 N 0.56 0.74 -0.78 3.88 3.38 -1.09 -1.49 115.31 120.50 2pwe h LEU 236 Ca 0.12 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 2pwe h LEU 236 Cb 0.46 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2pwe h LEU 236 CO 0.02 0.87 -0.22 1.56 0.09 0.00 0.00 178.44 180.76 2pwe h GLN 237 N 0.68 0.68 -0.33 1.13 4.20 -1.04 -2.02 115.11 118.40 2pwe h GLN 237 Ca 0.12 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 2pwe h GLN 237 Cb 0.58 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2pwe h GLN 237 CO 0.04 0.84 0.04 1.49 -0.67 0.00 0.00 178.83 180.57 2pwe h GLU 238 N 0.60 0.56 -0.81 1.46 4.81 -0.82 -1.42 114.58 118.96 2pwe h GLU 238 Ca 0.09 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2pwe h GLU 238 Cb 0.70 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 2pwe h GLU 238 CO 0.05 0.66 0.53 1.98 -0.73 0.00 0.00 179.01 181.51 2pwe h MET 239 N 0.39 1.04 -0.36 1.92 4.05 -1.13 0.40 114.93 121.24 2pwe h MET 239 Ca 0.10 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.39 2pwe h MET 239 Cb 0.38 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 2pwe h MET 239 CO 0.01 0.69 -0.04 1.25 0.23 0.00 0.00 176.91 179.05 2pwe h HIS 240 N 1.07 0.73 -0.43 1.39 -0.00 -1.05 -0.90 115.15 115.97 2pwe h HIS 240 Ca 0.30 -0.14 -0.14 0.00 -0.00 0.00 0.00 60.37 60.39 2pwe h HIS 240 Cb -0.09 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 2pwe h HIS 240 CO -0.00 0.79 -0.30 1.49 -0.00 0.00 0.00 177.93 179.91 2pwe h GLU 241 N 0.47 0.94 0.00 5.26 4.22 -0.74 0.12 114.58 124.85 2pwe h GLU 241 Ca 0.10 -0.44 -0.07 0.00 0.08 0.00 0.00 59.36 59.02 2pwe h GLU 241 Cb 0.52 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2pwe h GLU 241 CO 0.03 1.10 -0.44 0.87 -2.18 0.00 0.00 179.01 178.38 2pwe h LYS 242 N 0.79 0.00 0.00 1.92 1.79 -0.92 -3.41 116.57 116.74 2pwe h LYS 242 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2pwe h LYS 242 Cb 0.88 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2pwe h LYS 242 CO 0.08 0.30 0.00 0.28 -1.08 0.00 0.00 179.45 179.03 2pwe n VAL 243 N -3.13 0.00 0.28 0.50 0.31 -0.35 -4.86 118.33 111.08 2pwe n VAL 243 Ca 0.02 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.49 2pwe n VAL 243 Cb 0.67 -0.76 0.86 0.00 -0.91 0.00 0.00 33.84 33.70 2pwe n VAL 243 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2pwe h PHE 244 N 0.00 0.00 0.00 3.52 0.04 -1.45 0.22 116.94 119.28 2pwe h PHE 244 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2pwe h PHE 244 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2pwe h PHE 244 CO 0.00 0.00 -0.02 0.22 -0.60 0.00 0.00 178.31 177.91 2pwe h ASP 245 N 0.00 0.00 -0.03 2.17 1.82 -1.00 -2.50 116.42 116.87 2pwe h ASP 245 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2pwe h ASP 245 Cb 0.07 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.08 2pwe h ASP 245 CO -0.00 0.02 0.00 1.41 -1.61 0.00 0.00 179.24 179.06 2pwe n HIS 246 N -3.82 0.02 -4.48 0.28 8.25 0.07 -4.95 115.22 110.58 2pwe n HIS 246 Ca -0.03 -0.01 -0.25 0.00 -0.26 0.00 0.00 57.72 57.17 2pwe n HIS 246 Cb 0.11 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.14 2pwe n HIS 246 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2pwe n TYR 247 N 0.73 -0.02 -1.93 4.41 4.02 -0.94 -5.06 117.16 118.37 2pwe n TYR 247 Ca 0.17 -2.75 -0.10 0.00 -0.01 0.00 0.00 57.90 55.21 2pwe n TYR 247 Cb 0.47 0.04 0.09 0.00 -0.02 0.00 0.00 39.34 39.93 2pwe n TYR 247 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2pwe n ASP 248 N -1.53 3.32 -4.81 7.72 5.68 -1.26 -4.95 116.55 120.72 2pwe n ASP 248 Ca -0.04 -3.63 -0.34 0.00 -0.50 0.00 0.00 54.79 50.29 2pwe n ASP 248 Cb 0.63 -0.42 -0.07 0.00 -1.14 0.00 0.00 41.12 40.13 2pwe n ASP 248 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2pwe s ALA 249 N -3.31 3.07 0.06 2.12 0.00 -1.26 -4.98 121.76 117.45 2pwe s ALA 249 Ca 0.44 0.43 -0.16 0.00 0.00 0.00 0.00 51.96 52.67 2pwe s ALA 249 Cb 0.39 -3.16 -0.06 0.00 0.00 0.00 0.00 23.12 20.29 2pwe s ALA 249 CO -0.02 0.12 0.48 0.54 0.00 0.00 0.00 175.76 176.89 2pwe s VAL 250 N -2.07 4.91 -0.09 0.00 0.11 -0.08 -4.94 120.40 118.25 2pwe s VAL 250 Ca 0.60 0.92 0.03 0.00 -2.93 0.00 0.00 61.98 60.60 2pwe s VAL 250 Cb -0.11 -3.77 -0.02 0.00 -1.53 0.00 0.00 36.38 30.96 2pwe s VAL 250 CO 0.15 0.49 -0.16 0.42 -3.33 0.00 0.00 175.10 172.66 2pwe s THR 251 N -1.19 2.81 -0.08 5.04 -4.23 -1.26 -0.77 115.64 115.96 2pwe s THR 251 Ca 0.29 -0.78 -0.00 0.00 -1.18 0.00 0.00 61.69 60.01 2pwe s THR 251 Cb -0.17 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.57 2pwe s THR 251 CO 0.17 0.56 -0.05 0.00 -0.54 0.00 0.00 174.62 174.75 2pwe s ALA 252 N -0.13 1.02 -0.14 3.99 0.00 0.21 -1.17 121.76 125.55 2pwe s ALA 252 Ca -0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 2pwe s ALA 252 Cb -0.14 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 2pwe s ALA 252 CO 0.04 -0.30 0.08 0.20 0.00 0.00 0.00 175.76 175.78 2pwe s GLY 253 N 1.54 2.00 -0.86 0.00 0.00 -0.58 0.39 107.32 109.81 2pwe s GLY 253 Ca 0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 44.72 43.80 2pwe s GLY 253 CO -0.05 -0.22 1.15 1.62 0.00 0.00 0.00 173.10 175.60 2pwe s GLN 254 N -0.39 3.43 -1.36 2.90 0.74 0.07 -1.15 119.66 123.90 2pwe s GLN 254 Ca 0.10 -1.29 -0.14 0.00 0.05 0.00 0.00 55.36 54.08 2pwe s GLN 254 Cb -0.12 -4.76 0.09 0.00 1.10 0.00 0.00 33.01 29.32 2pwe s GLN 254 CO 0.02 -1.89 1.97 -0.89 -0.55 0.00 0.00 175.29 173.95 2pwe n ILE 255 N 5.93 3.83 -3.13 -2.34 5.41 -0.99 -1.91 119.36 126.16 2pwe n ILE 255 Ca 0.16 -3.71 -0.39 0.00 1.00 0.00 0.00 62.75 59.81 2pwe n ILE 255 Cb 0.48 -2.48 -0.05 0.00 -0.71 0.00 0.00 39.64 36.88 2pwe n ILE 255 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 2pwe s PHE 256 N 2.70 3.53 0.00 1.39 5.36 -1.26 -3.97 117.98 125.73 2pwe s PHE 256 Ca 0.47 1.10 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 2pwe s PHE 256 Cb 0.09 -2.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.04 2pwe s PHE 256 CO -0.02 0.07 0.00 0.41 -1.46 0.00 0.00 175.22 174.22 2pwe n GLY 257 N 3.25 1.22 3.79 13.12 0.00 -1.26 -4.80 105.19 120.51 2pwe n GLY 257 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2pwe n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwe s ALA 258 N -2.30 3.33 0.38 4.61 0.00 -1.25 -3.67 121.76 122.85 2pwe s ALA 258 Ca 0.00 0.37 -0.27 0.00 0.00 0.00 0.00 51.96 52.05 2pwe s ALA 258 Cb 0.00 -3.01 -0.10 0.00 0.00 0.00 0.00 23.12 20.01 2pwe s ALA 258 CO 0.00 0.25 1.39 -2.14 0.00 0.00 0.00 175.76 175.26 2pwe s PRO 259 N -1.82 4.10 0.45 0.00 0.02 -1.26 -4.88 135.00 131.62 2pwe s PRO 259 Ca 0.44 2.36 0.16 0.00 0.02 0.00 0.00 61.00 63.98 2pwe s PRO 259 Cb -0.19 -2.92 1.10 0.00 0.02 0.00 0.00 34.50 32.51 2pwe s PRO 259 CO 0.24 -0.45 1.98 1.25 -0.33 0.00 0.00 177.00 179.68 2pwe h LEU 260 N 2.96 0.30 -1.60 -5.54 5.85 -1.99 -1.53 115.31 113.76 2pwe h LEU 260 Ca -0.50 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2pwe h LEU 260 Cb 1.24 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2pwe h LEU 260 CO 0.64 0.17 0.00 -0.55 -0.34 0.00 0.00 178.44 178.36 2pwe h ASN 261 N 0.33 0.00 0.46 1.25 -1.07 -1.99 -1.73 115.58 112.83 2pwe h ASN 261 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.65 2pwe h ASN 261 Cb 0.64 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.89 2pwe h ASN 261 CO -0.07 0.00 -0.63 0.00 0.07 0.00 0.00 177.43 176.80 2pwe n GLN 262 N -2.62 0.06 -0.36 4.14 6.02 -0.57 -4.34 117.38 119.70 2pwe n GLN 262 Ca -0.00 0.01 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 2pwe n GLN 262 Cb 0.15 -1.53 0.20 0.00 1.02 0.00 0.00 30.24 30.09 2pwe n GLN 262 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2pwe h VAL 263 N 0.00 1.04 -0.58 5.09 2.07 -1.40 -1.87 116.25 120.59 2pwe h VAL 263 Ca 0.00 -0.38 0.17 0.00 0.82 0.00 0.00 66.70 67.31 2pwe h VAL 263 Cb 0.55 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 2pwe h VAL 263 CO 0.00 0.20 0.47 -0.65 0.02 0.00 0.00 177.57 177.62 2pwe h PRO 264 N 1.12 0.00 0.00 1.57 0.11 -1.78 0.09 132.00 133.10 2pwe h PRO 264 Ca 0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.53 2pwe h PRO 264 Cb 0.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 2pwe h PRO 264 CO -0.20 0.00 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.35 2pwe h LEU 265 N 0.00 0.00 0.05 2.35 3.38 -1.65 -0.81 115.31 118.63 2pwe h LEU 265 Ca 0.28 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.97 2pwe h LEU 265 Cb 1.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 2pwe h LEU 265 CO -0.00 0.17 -1.43 -0.26 0.09 0.00 0.00 178.44 177.01 2pwe h PHE 266 N 0.00 0.18 0.00 1.13 -1.00 -1.11 -3.42 116.94 112.72 2pwe h PHE 266 Ca -0.00 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.64 2pwe h PHE 266 Cb 0.32 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.88 2pwe h PHE 266 CO 0.00 1.16 -0.50 0.44 -1.61 0.00 0.00 178.31 177.81 2pwe n ILE 267 N -3.30 0.00 -1.62 -0.55 -5.35 -1.07 -0.59 119.36 106.87 2pwe n ILE 267 Ca -0.12 -0.30 -0.46 0.00 -0.27 0.00 0.00 62.75 61.60 2pwe n ILE 267 Cb 1.01 0.90 -0.04 0.00 -1.74 0.00 0.00 39.64 39.77 2pwe n ILE 267 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2pwe n ASP 268 N -1.26 3.35 0.08 7.28 -0.08 -0.33 -4.32 116.55 121.28 2pwe n ASP 268 Ca 0.01 0.69 0.18 0.00 -1.51 0.00 0.00 54.79 54.17 2pwe n ASP 268 Cb 0.13 -1.43 0.72 0.00 2.34 0.00 0.00 41.12 42.88 2pwe n ASP 268 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2pwe h SER 269 N 11.36 0.00 0.41 1.67 4.64 -1.45 -0.50 113.55 129.67 2pwe h SER 269 Ca -0.44 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.83 2pwe h SER 269 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 2pwe h SER 269 CO 0.96 0.00 -0.23 0.03 -0.87 0.00 0.00 176.83 176.72 2pwe h ARG 270 N 0.00 0.00 0.00 4.77 3.08 -1.87 -2.53 114.38 117.83 2pwe h ARG 270 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2pwe h ARG 270 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2pwe h ARG 270 CO -0.00 0.23 0.00 0.54 -1.07 0.00 0.00 179.97 179.67 2pwe n ARG 271 N -3.85 0.08 -3.64 0.04 1.74 -0.20 -4.94 116.66 105.89 2pwe n ARG 271 Ca -0.02 0.11 -0.26 0.00 -0.77 0.00 0.00 57.85 56.91 2pwe n ARG 271 Cb 0.32 -1.60 0.04 0.00 -1.02 0.00 0.00 32.46 30.20 2pwe n ARG 271 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2pwe n LYS 272 N -1.74 -2.32 0.00 5.56 5.02 -0.95 -4.92 118.16 118.81 2pwe n LYS 272 Ca 0.06 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 2pwe n LYS 272 Cb 0.34 -4.64 0.00 0.00 -0.02 0.00 0.00 35.03 30.71 2pwe n LYS 272 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2pwe n GLU 273 N -4.08 0.00 -4.29 1.97 1.02 -1.26 -4.56 120.64 109.44 2pwe n GLU 273 Ca -0.15 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.76 2pwe n GLU 273 Cb 0.62 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.97 2pwe n GLU 273 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pwe s LEU 274 N 0.00 3.13 -0.00 -4.62 1.43 0.24 -4.80 118.68 114.06 2pwe s LEU 274 Ca 0.00 -0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 52.22 2pwe s LEU 274 Cb 0.00 -1.62 -0.34 0.00 0.03 0.00 0.00 46.19 44.26 2pwe s LEU 274 CO 0.00 -0.06 0.88 0.44 0.23 0.00 0.00 176.35 177.84 2pwe h ASP 275 N 1.87 0.74 -5.19 2.29 3.32 -1.62 -3.38 116.42 114.45 2pwe h ASP 275 Ca -0.44 -0.93 -0.08 0.00 0.02 0.00 0.00 57.03 55.61 2pwe h ASP 275 Cb 1.25 -0.24 -0.12 0.00 0.22 0.00 0.00 39.33 40.43 2pwe h ASP 275 CO 0.61 1.71 -0.25 0.00 -1.72 0.00 0.00 179.24 179.60 2pwe s MET 276 N -2.58 1.12 -0.03 3.56 0.23 -0.32 -4.07 119.30 117.22 2pwe s MET 276 Ca -0.12 -1.04 0.07 0.00 -1.03 0.00 0.00 55.69 53.58 2pwe s MET 276 Cb 0.04 0.40 -0.02 0.00 -1.53 0.00 0.00 34.83 33.73 2pwe s MET 276 CO 0.91 -0.42 -0.24 0.00 -2.03 0.00 0.00 175.02 173.24 2pwe s ALA 277 N -3.92 2.01 -0.37 3.16 0.00 -0.90 -1.53 121.76 120.22 2pwe s ALA 277 Ca 0.12 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 50.91 2pwe s ALA 277 Cb 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2pwe s ALA 277 CO -0.04 0.46 0.31 -0.06 0.00 0.00 0.00 175.76 176.43 2pwe s PHE 278 N -0.44 3.22 0.37 0.00 0.08 -0.30 -1.49 117.98 119.41 2pwe s PHE 278 Ca 0.06 -0.32 0.08 0.00 0.12 0.00 0.00 56.93 56.86 2pwe s PHE 278 Cb -0.10 -2.60 -0.02 0.00 -0.57 0.00 0.00 43.02 39.72 2pwe s PHE 278 CO 0.00 -0.49 0.33 0.95 -0.10 0.00 0.00 175.22 175.91 2pwe s THR 279 N 1.81 3.23 0.00 0.64 -4.23 -1.26 -2.36 115.64 113.47 2pwe s THR 279 Ca 0.07 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 2pwe s THR 279 Cb -0.18 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.54 2pwe s THR 279 CO 0.11 -0.11 0.94 0.49 -0.54 0.00 0.00 174.62 175.51 2pwe n PHE 280 N -1.45 0.00 -0.16 3.99 3.01 -1.26 -4.71 117.46 116.88 2pwe n PHE 280 Ca 0.00 -0.44 -0.05 0.00 1.01 0.00 0.00 57.45 57.97 2pwe n PHE 280 Cb 0.60 -0.04 0.04 0.00 -0.01 0.00 0.00 39.48 40.07 2pwe n PHE 280 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2pwe h ASP 281 N 0.00 0.40 0.10 4.37 5.19 -1.95 -1.47 116.42 123.05 2pwe h ASP 281 Ca 0.00 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2pwe h ASP 281 Cb 0.52 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.98 2pwe h ASP 281 CO 0.00 0.28 -0.05 0.25 -3.12 0.00 0.00 179.24 176.60 2pwe h LEU 282 N 0.52 -0.11 -1.81 1.55 5.85 -1.92 -1.68 115.31 117.71 2pwe h LEU 282 Ca 0.21 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 2pwe h LEU 282 Cb 0.09 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 2pwe h LEU 282 CO -0.13 0.41 -0.07 -0.29 -0.34 0.00 0.00 178.44 178.01 2pwe h ILE 283 N -0.67 0.26 -0.36 4.05 2.10 -1.85 -1.81 117.51 119.22 2pwe h ILE 283 Ca -0.01 -0.53 0.00 0.00 1.08 0.00 0.00 64.86 65.40 2pwe h ILE 283 Cb 0.53 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 37.67 2pwe h ILE 283 CO 0.02 0.07 0.00 0.54 -1.08 0.00 0.00 178.15 177.70 2pwe n ARG 284 N -3.30 3.25 0.24 2.19 5.12 -0.56 -4.67 116.66 118.93 2pwe n ARG 284 Ca -0.01 -2.72 0.16 0.00 -1.93 0.00 0.00 57.85 53.35 2pwe n ARG 284 Cb 0.26 -1.78 0.85 0.00 -1.16 0.00 0.00 32.46 30.63 2pwe n ARG 284 CO 0.00 0.00 0.00 0.10 -1.93 0.00 0.00 177.63 175.80 2pwe h TYR 285 N 2.40 0.00 -0.17 -1.55 -0.00 -0.39 -1.23 116.97 116.03 2pwe h TYR 285 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.68 2pwe h TYR 285 Cb 1.36 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 38.06 2pwe h TYR 285 CO 0.54 0.00 -0.11 -0.40 -0.00 0.00 0.00 178.16 178.19 2pwe n ASP 286 N -3.90 2.68 -4.67 0.10 5.68 -1.26 -4.98 116.55 110.19 2pwe n ASP 286 Ca -0.01 -3.41 -0.35 0.00 -0.50 0.00 0.00 54.79 50.53 2pwe n ASP 286 Cb 0.21 -0.54 -0.10 0.00 -1.14 0.00 0.00 41.12 39.56 2pwe n ASP 286 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 2pwe s ARG 287 N -3.03 3.17 0.95 0.11 6.06 -0.47 -0.65 118.95 125.08 2pwe s ARG 287 Ca 0.39 -0.40 -0.12 0.00 -2.50 0.00 0.00 55.73 53.10 2pwe s ARG 287 Cb 0.35 -2.86 0.16 0.00 0.06 0.00 0.00 34.95 32.65 2pwe s ARG 287 CO 0.02 0.62 1.11 0.00 -2.50 0.00 0.00 175.30 174.55 2pwe s ALA 288 N -0.64 1.39 0.46 6.12 0.00 -0.18 -4.85 121.76 124.07 2pwe s ALA 288 Ca 0.10 -0.40 0.12 0.00 0.00 0.00 0.00 51.96 51.78 2pwe s ALA 288 Cb -0.12 -3.09 1.06 0.00 0.00 0.00 0.00 23.12 20.97 2pwe s ALA 288 CO 0.02 -2.52 2.09 -0.07 0.00 0.00 0.00 175.76 175.28 2pwe h LEU 289 N -1.67 0.22 0.00 0.00 3.38 -1.90 -0.39 115.31 114.95 2pwe h LEU 289 Ca -0.52 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2pwe h LEU 289 Cb 1.32 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2pwe h LEU 289 CO 0.59 0.18 0.00 -0.90 0.09 0.00 0.00 178.44 178.40 2pwe n ASP 290 N -4.49 0.00 0.00 -0.43 5.68 -1.26 -4.87 116.55 111.18 2pwe n ASP 290 Ca -0.00 -0.37 0.00 0.00 -0.50 0.00 0.00 54.79 53.92 2pwe n ASP 290 Cb 0.09 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 2pwe n ASP 290 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2pwe n ARG 291 N -1.12 -0.40 0.00 0.11 1.74 -0.16 -4.77 116.66 112.06 2pwe n ARG 291 Ca 0.13 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 2pwe n ARG 291 Cb 0.11 -3.74 0.00 0.00 -1.02 0.00 0.00 32.46 27.80 2pwe n ARG 291 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2pwe n TRP 292 N -2.18 0.00 -2.59 -1.55 4.27 -1.26 -4.91 117.44 109.22 2pwe n TRP 292 Ca 0.00 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.33 2pwe n TRP 292 Cb 0.10 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.04 2pwe n TRP 292 CO 0.00 0.00 0.00 -1.01 -2.29 0.00 0.00 177.69 174.39 2pwe s HIS 293 N -1.65 3.55 0.26 -2.67 3.76 -1.26 -4.43 115.29 112.86 2pwe s HIS 293 Ca 0.00 0.91 0.10 0.00 -0.15 0.00 0.00 55.06 55.92 2pwe s HIS 293 Cb 0.00 -2.38 -0.04 0.00 1.11 0.00 0.00 32.58 31.27 2pwe s HIS 293 CO 0.00 -0.29 -0.07 0.95 -0.85 0.00 0.00 174.74 174.48 2pwe s THR 294 N -2.72 3.15 -0.04 1.30 -4.23 -1.26 -1.01 115.64 110.84 2pwe s THR 294 Ca 0.49 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.02 2pwe s THR 294 Cb -0.10 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2pwe s THR 294 CO 0.43 -0.34 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.40 2pwe s ILE 295 N -2.29 1.20 0.23 2.99 1.01 0.17 -4.77 121.20 119.75 2pwe s ILE 295 Ca 0.30 -0.58 -0.31 0.00 0.00 0.00 0.00 60.65 60.06 2pwe s ILE 295 Cb -0.06 -1.04 -0.11 0.00 0.01 0.00 0.00 42.46 41.25 2pwe s ILE 295 CO 0.18 0.35 1.63 -2.84 0.00 0.00 0.00 174.94 174.26 2pwe s PRO 296 N 0.15 4.15 0.24 2.79 0.02 -1.26 -4.66 135.00 136.42 2pwe s PRO 296 Ca -0.05 2.53 0.02 0.00 0.02 0.00 0.00 61.00 63.53 2pwe s PRO 296 Cb -0.11 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 2pwe s PRO 296 CO 0.02 -0.66 0.05 1.03 -0.33 0.00 0.00 177.00 177.10 2pwe s ARG 297 N 0.46 1.35 0.38 5.54 1.81 -1.26 -5.06 118.95 122.16 2pwe s ARG 297 Ca 0.69 -1.70 0.04 0.00 -1.72 0.00 0.00 55.73 53.04 2pwe s ARG 297 Cb -0.47 -0.41 -0.06 0.00 -0.45 0.00 0.00 34.95 33.56 2pwe s ARG 297 CO 0.38 -0.20 0.05 0.95 -0.68 0.00 0.00 175.30 175.81 2pwe s THR 298 N -3.61 1.31 0.51 0.02 -4.23 -1.26 -5.01 115.64 103.36 2pwe s THR 298 Ca 0.32 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.05 2pwe s THR 298 Cb 0.07 -2.71 0.37 0.00 1.34 0.00 0.00 72.50 71.57 2pwe s THR 298 CO 0.10 0.00 2.00 0.25 -0.54 0.00 0.00 174.62 176.44 2pwe h LEU 299 N 1.90 0.08 -0.80 4.79 5.85 -1.90 -0.53 115.31 124.70 2pwe h LEU 299 Ca -0.41 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.33 2pwe h LEU 299 Cb 1.26 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 2pwe h LEU 299 CO 0.71 0.05 0.52 0.00 -0.34 0.00 0.00 178.44 179.38 2pwe h ALA 300 N 1.75 1.03 -0.45 1.25 0.00 -1.83 -0.61 119.26 120.39 2pwe h ALA 300 Ca 0.24 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 2pwe h ALA 300 Cb 0.83 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2pwe h ALA 300 CO -0.02 0.39 -0.19 -0.44 0.00 0.00 0.00 179.25 178.99 2pwe h ASP 301 N 1.05 0.91 0.96 0.00 3.32 -1.44 -2.15 116.42 119.07 2pwe h ASP 301 Ca 0.30 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 2pwe h ASP 301 Cb -0.07 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.24 2pwe h ASP 301 CO -0.08 1.08 -0.46 0.15 -1.72 0.00 0.00 179.24 178.20 2pwe h PHE 302 N 0.78 -1.20 -0.56 4.55 3.57 -0.74 -1.68 116.94 121.66 2pwe h PHE 302 Ca 0.11 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 2pwe h PHE 302 Cb 0.73 0.40 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 2pwe h PHE 302 CO 0.04 -0.74 0.16 0.07 -2.23 0.00 0.00 178.31 175.61 2pwe h ARG 303 N -1.31 0.85 -0.67 1.11 0.11 -1.20 -1.66 114.38 111.62 2pwe h ARG 303 Ca -0.13 -0.17 -0.06 0.00 0.10 0.00 0.00 59.98 59.72 2pwe h ARG 303 Cb 0.99 -0.13 -0.03 0.00 1.11 0.00 0.00 29.97 31.91 2pwe h ARG 303 CO 0.22 0.75 0.17 1.96 0.10 0.00 0.00 179.97 183.17 2pwe h GLN 304 N 0.83 1.05 0.01 0.08 4.20 -1.38 0.95 115.11 120.86 2pwe h GLN 304 Ca 0.18 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 2pwe h GLN 304 Cb 0.27 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2pwe h GLN 304 CO -0.01 0.93 -0.01 1.15 -0.67 0.00 0.00 178.83 180.22 2pwe h THR 305 N 1.01 1.15 -0.86 -0.54 2.02 -0.95 -2.23 112.91 112.51 2pwe h THR 305 Ca 0.21 -0.50 0.10 0.00 0.77 0.00 0.00 66.41 67.00 2pwe h THR 305 Cb 0.34 1.49 -0.08 0.00 -1.74 0.00 0.00 68.15 68.16 2pwe h THR 305 CO -0.00 0.13 0.50 0.40 0.37 0.00 0.00 175.52 176.92 2pwe h ILE 306 N -0.23 0.90 -0.81 3.11 2.04 -0.98 -0.58 117.51 120.96 2pwe h ILE 306 Ca -0.00 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 2pwe h ILE 306 Cb 0.22 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.27 2pwe h ILE 306 CO 0.00 0.15 0.35 0.44 0.00 0.00 0.00 178.15 179.09 2pwe h ASP 307 N 0.82 1.10 -0.43 1.72 3.32 -0.65 0.85 116.42 123.14 2pwe h ASP 307 Ca 0.42 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 2pwe h ASP 307 Cb 0.40 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2pwe h ASP 307 CO -0.26 0.95 0.08 0.11 -1.72 0.00 0.00 179.24 178.41 2pwe h LYS 308 N 1.17 0.70 -0.44 3.56 1.57 -0.69 0.08 116.57 122.51 2pwe h LYS 308 Ca 0.27 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 2pwe h LYS 308 Cb 0.18 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2pwe h LYS 308 CO -0.03 0.72 -0.08 0.28 -0.57 0.00 0.00 179.45 179.77 2pwe h VAL 309 N 0.56 1.27 -0.71 0.50 2.07 -0.85 -2.01 116.25 117.08 2pwe h VAL 309 Ca 0.13 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 2pwe h VAL 309 Cb 0.35 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2pwe h VAL 309 CO 0.01 0.40 0.26 -0.78 0.02 0.00 0.00 177.57 177.48 2pwe h ASP 310 N 0.67 1.00 0.16 0.57 3.58 -0.63 -2.01 116.42 119.76 2pwe h ASP 310 Ca 0.11 -0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 2pwe h ASP 310 Cb 0.61 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 2pwe h ASP 310 CO 0.04 0.91 -0.13 0.00 -2.88 0.00 0.00 179.24 177.18 2pwe h ALA 311 N 1.12 1.68 0.00 -0.78 0.00 -0.79 -2.48 119.26 118.02 2pwe h ALA 311 Ca 0.23 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2pwe h ALA 311 Cb 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2pwe h ALA 311 CO -0.02 0.17 -0.21 0.97 0.00 0.00 0.00 179.25 180.16 2pwe h ILE 312 N 0.00 0.72 0.00 0.00 6.09 -0.60 -2.50 117.51 121.22 2pwe h ILE 312 Ca -0.00 -0.89 -0.02 0.00 -1.37 0.00 0.00 64.86 62.57 2pwe h ILE 312 Cb 0.25 1.56 -0.00 0.00 0.47 0.00 0.00 36.82 39.09 2pwe h ILE 312 CO 0.02 0.21 -0.11 0.00 -3.07 0.00 0.00 178.15 175.20 2pwe h ALA 313 N 1.79 1.00 -0.37 0.18 0.00 -1.42 -3.41 119.26 117.03 2pwe h ALA 313 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pwe h ALA 313 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2pwe h ALA 313 CO 0.03 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.83 2pwe n GLY 314 N 0.21 0.91 0.11 0.00 0.00 -0.94 -0.14 105.19 105.34 2pwe n GLY 314 Ca 0.01 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 2pwe n GLY 314 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2pwe h GLU 315 N 0.00 0.28 -0.02 1.61 4.81 -1.92 -3.37 114.58 115.97 2pwe h GLU 315 Ca 0.00 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2pwe h GLU 315 Cb 0.00 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2pwe h GLU 315 CO 0.00 1.21 -0.06 0.66 -0.73 0.00 0.00 179.01 180.09 2pwe n TYR 316 N -3.52 0.00 -3.12 0.92 4.01 -1.24 -5.00 117.16 109.21 2pwe n TYR 316 Ca -0.10 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.46 2pwe n TYR 316 Cb 1.03 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 40.07 2pwe n TYR 316 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2pwe s GLY 317 N -1.49 1.95 -0.11 2.72 0.00 0.80 -1.23 107.32 109.97 2pwe s GLY 317 Ca 0.18 -1.78 -0.09 0.00 0.00 0.00 0.00 44.72 43.04 2pwe s GLY 317 CO 0.25 -1.57 0.27 0.86 0.00 0.00 0.00 173.10 172.91 2pwe s TRP 318 N -2.44 -0.32 0.17 1.90 -0.11 -1.26 -4.74 118.94 112.15 2pwe s TRP 318 Ca 0.55 0.76 0.06 0.00 1.22 0.00 0.00 56.10 58.69 2pwe s TRP 318 Cb -0.08 0.10 -0.04 0.00 -1.50 0.00 0.00 33.47 31.95 2pwe s TRP 318 CO 0.33 -0.17 0.07 -0.80 -4.62 0.00 0.00 176.95 171.76 2pwe s ASN 319 N 0.43 5.12 0.49 5.86 0.01 -1.26 -2.11 114.94 123.48 2pwe s ASN 319 Ca -0.02 -0.28 0.04 0.00 -0.71 0.00 0.00 52.86 51.89 2pwe s ASN 319 Cb -0.04 -1.21 0.02 0.00 0.41 0.00 0.00 41.25 40.43 2pwe s ASN 319 CO -0.02 0.08 0.68 0.42 -1.51 0.00 0.00 177.10 176.75 2pwe s THR 320 N -1.76 2.81 -0.05 1.60 -4.23 -0.56 -1.05 115.64 112.40 2pwe s THR 320 Ca 0.29 -0.81 -0.02 0.00 -1.18 0.00 0.00 61.69 59.97 2pwe s THR 320 Cb -0.10 -3.00 0.03 0.00 1.34 0.00 0.00 72.50 70.78 2pwe s THR 320 CO 0.21 0.00 0.11 0.12 -0.54 0.00 0.00 174.62 174.51 2pwe s PHE 321 N -2.58 -0.10 -0.01 3.99 5.36 -0.38 -4.68 117.98 119.58 2pwe s PHE 321 Ca 0.56 0.35 -0.22 0.00 -0.96 0.00 0.00 56.93 56.67 2pwe s PHE 321 Cb -0.10 -0.12 0.05 0.00 -0.34 0.00 0.00 43.02 42.50 2pwe s PHE 321 CO 0.36 -0.13 0.48 -0.59 -1.46 0.00 0.00 175.22 173.88 2pwe s PHE 322 N 1.06 -0.40 -0.37 10.12 -0.71 -1.26 -1.20 117.98 125.22 2pwe s PHE 322 Ca -0.08 0.60 0.08 0.00 -1.04 0.00 0.00 56.93 56.48 2pwe s PHE 322 Cb -0.11 0.26 -0.09 0.00 -1.21 0.00 0.00 43.02 41.87 2pwe s PHE 322 CO -0.05 -0.53 0.34 1.28 -1.34 0.00 0.00 175.22 174.93 2pwe n LEU 323 N 0.92 0.37 -3.69 -1.99 4.77 -1.26 -4.84 117.00 111.27 2pwe n LEU 323 Ca -0.20 -0.48 -0.10 0.00 -0.03 0.00 0.00 56.01 55.20 2pwe n LEU 323 Cb 0.57 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.62 2pwe n LEU 323 CO 0.22 0.09 0.14 -0.83 -1.33 0.00 0.00 177.39 175.69 2pwe s GLY 324 N -1.83 -0.16 0.01 -0.72 0.00 -1.26 -4.39 107.32 98.97 2pwe s GLY 324 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.55 2pwe s GLY 324 CO 0.34 -0.38 0.04 1.16 0.00 0.00 0.00 173.10 174.26 2pwe n ASN 325 N -0.23 -0.08 0.00 1.64 0.23 -1.26 -4.51 115.26 111.04 2pwe n ASN 325 Ca -0.14 -1.05 0.13 0.00 -0.53 0.00 0.00 54.58 52.99 2pwe n ASN 325 Cb 0.63 0.14 0.74 0.00 -2.08 0.00 0.00 39.78 39.21 2pwe n ASN 325 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pwe n HIS 326 N -0.03 0.00 -0.01 -2.53 1.44 -1.26 -3.34 115.22 109.49 2pwe n HIS 326 Ca -0.00 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.74 2pwe n HIS 326 Cb 0.03 -0.08 0.06 0.00 0.12 0.00 0.00 29.99 30.12 2pwe n HIS 326 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2pwe n ASP 327 N -1.08 2.22 -4.20 4.39 8.00 -1.26 -4.78 116.55 119.85 2pwe n ASP 327 Ca 0.18 -1.81 -0.12 0.00 0.71 0.00 0.00 54.79 53.75 2pwe n ASP 327 Cb 0.12 -0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.03 2pwe n ASP 327 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2pwe s ASN 328 N -0.87 0.50 0.94 -2.24 0.01 -1.21 -4.39 114.94 107.68 2pwe s ASN 328 Ca 0.11 -1.28 -0.12 0.00 -0.71 0.00 0.00 52.86 50.86 2pwe s ASN 328 Cb 0.06 0.28 0.16 0.00 0.41 0.00 0.00 41.25 42.15 2pwe s ASN 328 CO 0.08 -0.74 1.09 -2.16 -1.51 0.00 0.00 177.10 173.86 2pwe s PRO 329 N -4.06 0.89 0.30 -0.60 0.04 -1.26 -4.07 135.00 126.24 2pwe s PRO 329 Ca 0.30 0.80 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 2pwe s PRO 329 Cb 0.07 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.74 2pwe s PRO 329 CO 0.07 -2.49 1.38 1.03 0.04 0.00 0.00 177.00 177.02 2pwe s ARG 330 N -4.88 4.29 0.17 4.56 1.81 -1.26 -4.73 118.95 118.90 2pwe s ARG 330 Ca 0.64 2.29 -0.22 0.00 -1.72 0.00 0.00 55.73 56.72 2pwe s ARG 330 Cb -0.19 -3.08 0.07 0.00 -0.45 0.00 0.00 34.95 31.31 2pwe s ARG 330 CO 0.58 -0.32 1.61 0.00 -0.68 0.00 0.00 175.30 176.49 2pwe h ALA 331 N 3.99 -0.10 -0.11 2.13 0.00 -1.87 0.37 119.26 123.67 2pwe h ALA 331 Ca -0.48 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2pwe h ALA 331 Cb 1.22 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 2pwe h ALA 331 CO 0.70 -0.68 -0.29 -0.24 0.00 0.00 0.00 179.25 178.75 2pwe h VAL 332 N -0.22 1.25 -0.10 0.00 3.04 -1.92 0.98 116.25 119.27 2pwe h VAL 332 Ca 0.18 -1.18 -0.19 0.00 -1.01 0.00 0.00 66.70 64.50 2pwe h VAL 332 Cb 0.51 1.49 0.01 0.00 -2.01 0.00 0.00 31.29 31.29 2pwe h VAL 332 CO -0.52 0.35 -0.68 0.28 -1.01 0.00 0.00 177.57 176.00 2pwe h SER 333 N 0.18 0.78 0.24 3.17 0.02 -1.67 -1.07 113.55 115.20 2pwe h SER 333 Ca 0.03 -0.66 -0.01 0.00 -0.84 0.00 0.00 61.79 60.31 2pwe h SER 333 Cb 0.61 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2pwe h SER 333 CO 0.04 1.31 -0.12 -0.74 -1.14 0.00 0.00 176.83 176.19 2pwe h HIS 334 N 0.30 -0.30 0.00 3.45 6.17 -0.09 -3.39 115.15 121.28 2pwe h HIS 334 Ca -0.05 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.02 2pwe h HIS 334 Cb 1.32 0.10 0.00 0.00 2.52 0.00 0.00 27.41 31.35 2pwe h HIS 334 CO 0.10 0.06 -1.65 1.19 0.71 0.00 0.00 177.93 178.35 2pwe n PHE 335 N -5.05 0.00 -0.87 5.26 3.72 0.32 -5.02 117.46 115.81 2pwe n PHE 335 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2pwe n PHE 335 Cb 0.26 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 2pwe n PHE 335 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pwe n GLY 336 N 1.46 3.39 2.79 1.37 0.00 -0.42 -5.02 105.19 108.76 2pwe n GLY 336 Ca -0.02 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 2pwe n GLY 336 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pwe s ASP 337 N -0.07 3.29 -0.06 1.61 -1.08 -1.11 -4.77 116.67 114.47 2pwe s ASP 337 Ca 0.00 -1.01 0.08 0.00 -0.52 0.00 0.00 52.55 51.10 2pwe s ASP 337 Cb 0.00 -0.78 0.35 0.00 -1.46 0.00 0.00 42.92 41.03 2pwe s ASP 337 CO 0.00 -0.30 1.15 -0.90 0.52 0.00 0.00 175.17 175.64 2pwe n ASP 338 N 4.93 2.64 -4.77 -0.34 5.75 -1.25 -2.26 116.55 121.25 2pwe n ASP 338 Ca -0.09 -2.25 -0.38 0.00 -0.01 0.00 0.00 54.79 52.06 2pwe n ASP 338 Cb 0.46 -0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 40.10 2pwe n ASP 338 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2pwe s ARG 339 N -1.70 3.85 0.34 0.11 0.52 -1.26 -4.64 118.95 116.17 2pwe s ARG 339 Ca 0.24 1.82 0.14 0.00 -0.52 0.00 0.00 55.73 57.42 2pwe s ARG 339 Cb 0.16 -2.50 1.11 0.00 0.52 0.00 0.00 34.95 34.24 2pwe s ARG 339 CO 0.11 -0.49 1.62 -1.35 0.02 0.00 0.00 175.30 175.21 2pwe h PRO 340 N 2.25 0.16 0.00 3.54 0.11 -2.01 0.46 132.00 136.51 2pwe h PRO 340 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2pwe h PRO 340 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2pwe h PRO 340 CO 0.61 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 178.51 2pwe n GLN 341 N -5.19 0.21 0.00 1.05 0.00 -1.26 -4.03 117.38 108.17 2pwe n GLN 341 Ca 0.32 0.19 0.00 0.00 0.00 0.00 0.00 57.00 57.51 2pwe n GLN 341 Cb 1.04 -1.76 0.00 0.00 0.00 0.00 0.00 30.24 29.52 2pwe n GLN 341 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 2pwe n TRP 342 N -2.13 0.00 -0.10 2.61 7.02 -0.03 -4.83 117.44 119.98 2pwe n TRP 342 Ca 0.06 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.48 2pwe n TRP 342 Cb 0.40 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.31 2pwe n TRP 342 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 2pwe h ARG 343 N 0.00 0.12 -0.12 -0.99 2.43 -0.60 -0.53 114.38 114.69 2pwe h ARG 343 Ca 0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2pwe h ARG 343 Cb 0.00 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2pwe h ARG 343 CO 0.00 0.08 -0.05 0.93 -1.51 0.00 0.00 179.97 179.42 2pwe h GLU 344 N 0.13 0.24 -0.49 0.20 5.08 -1.86 0.51 114.58 118.40 2pwe h GLU 344 Ca 0.17 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2pwe h GLU 344 Cb 0.23 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2pwe h GLU 344 CO -0.27 0.58 0.24 0.00 -1.00 0.00 0.00 179.01 178.57 2pwe h ALA 345 N 0.65 0.62 -0.06 3.43 0.00 -1.85 -1.19 119.26 120.86 2pwe h ALA 345 Ca 0.03 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2pwe h ALA 345 Cb 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2pwe h ALA 345 CO 0.02 -0.11 -0.62 0.66 0.00 0.00 0.00 179.25 179.20 2pwe h SER 346 N 0.48 0.24 0.10 0.00 4.64 -1.07 -1.74 113.55 116.20 2pwe h SER 346 Ca 0.21 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 2pwe h SER 346 Cb 0.13 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2pwe h SER 346 CO -0.15 0.80 -0.33 0.00 -0.87 0.00 0.00 176.83 176.28 2pwe h ALA 347 N 1.20 1.13 -0.25 5.18 0.00 -0.49 -1.08 119.26 124.94 2pwe h ALA 347 Ca -0.01 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 2pwe h ALA 347 Cb 1.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2pwe h ALA 347 CO 0.09 0.56 -0.58 0.87 0.00 0.00 0.00 179.25 180.19 2pwe h LYS 348 N 0.29 0.81 -0.18 0.00 1.57 -0.96 -1.75 116.57 116.34 2pwe h LYS 348 Ca 0.04 -0.53 0.03 0.00 -1.87 0.00 0.00 60.65 58.31 2pwe h LYS 348 Cb 0.73 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 2pwe h LYS 348 CO 0.06 1.16 0.02 0.00 -0.57 0.00 0.00 179.45 180.12 2pwe h ALA 349 N 0.72 0.17 -0.27 3.86 0.00 -0.95 -1.27 119.26 121.52 2pwe h ALA 349 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2pwe h ALA 349 Cb 1.18 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2pwe h ALA 349 CO 0.12 -0.42 0.03 -0.07 0.00 0.00 0.00 179.25 178.92 2pwe h LEU 350 N 0.09 0.37 -0.65 0.00 3.38 -1.14 -2.09 115.31 115.26 2pwe h LEU 350 Ca 0.08 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2pwe h LEU 350 Cb 0.09 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2pwe h LEU 350 CO -0.12 0.41 0.16 0.00 0.09 0.00 0.00 178.44 178.97 2pwe h ALA 351 N 1.65 0.86 -0.68 1.53 0.00 -0.52 0.14 119.26 122.24 2pwe h ALA 351 Ca 0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2pwe h ALA 351 Cb 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2pwe h ALA 351 CO 0.00 0.58 0.32 1.15 0.00 0.00 0.00 179.25 181.30 2pwe h THR 352 N 0.97 1.23 0.48 0.00 2.02 -0.66 0.05 112.91 117.00 2pwe h THR 352 Ca 0.20 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 2pwe h THR 352 Cb 0.36 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2pwe h THR 352 CO 0.00 0.27 -0.23 0.58 0.37 0.00 0.00 175.52 176.51 2pwe h VAL 353 N 0.94 0.50 -0.68 3.16 2.07 -1.09 -2.82 116.25 118.33 2pwe h VAL 353 Ca 0.23 -0.27 0.14 0.00 0.82 0.00 0.00 66.70 67.62 2pwe h VAL 353 Cb 0.12 0.61 -0.10 0.00 -1.52 0.00 0.00 31.29 30.40 2pwe h VAL 353 CO -0.03 0.05 0.13 0.74 0.02 0.00 0.00 177.57 178.48 2pwe h THR 354 N -0.81 0.54 -0.29 2.57 2.02 -0.41 -2.11 112.91 114.43 2pwe h THR 354 Ca -0.07 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2pwe h THR 354 Cb 0.57 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2pwe h THR 354 CO 0.11 0.04 0.00 0.18 0.37 0.00 0.00 175.52 176.22 2pwe n LEU 355 N -5.17 1.63 -0.00 2.58 4.77 -0.02 -3.67 117.00 117.11 2pwe n LEU 355 Ca 0.12 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 2pwe n LEU 355 Cb 0.40 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2pwe n LEU 355 CO 0.13 0.40 0.44 0.35 -1.33 0.00 0.00 177.39 177.38 2pwe n THR 356 N 0.38 0.77 -2.64 -5.08 -2.24 -0.81 -4.82 114.28 99.84 2pwe n THR 356 Ca 0.11 -0.78 -0.32 0.00 -2.27 0.00 0.00 64.05 60.79 2pwe n THR 356 Cb 0.27 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 69.06 2pwe n THR 356 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pwe s GLN 357 N -0.79 3.98 -0.23 -0.78 -1.52 -1.12 -4.95 119.66 114.26 2pwe s GLN 357 Ca 0.01 0.88 -0.27 0.00 -1.95 0.00 0.00 55.36 54.03 2pwe s GLN 357 Cb 0.00 -2.22 0.00 0.00 -0.22 0.00 0.00 33.01 30.58 2pwe s GLN 357 CO 0.00 -0.14 0.93 0.50 -0.25 0.00 0.00 175.29 176.33 2pwe s ARG 358 N -3.74 4.24 0.00 2.91 3.52 -1.26 -4.74 118.95 119.87 2pwe s ARG 358 Ca 0.58 1.15 0.00 0.00 -0.13 0.00 0.00 55.73 57.32 2pwe s ARG 358 Cb -0.10 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 2pwe s ARG 358 CO 0.26 -0.54 0.00 0.41 -0.81 0.00 0.00 175.30 174.62 2pwe n GLY 359 N 3.52 0.93 3.52 8.12 0.00 -1.24 -4.79 105.19 115.25 2pwe n GLY 359 Ca 0.08 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 2pwe n GLY 359 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pwe s THR 360 N -1.32 5.15 0.36 2.61 2.01 -0.22 -4.84 115.64 119.39 2pwe s THR 360 Ca 0.00 -0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.61 2pwe s THR 360 Cb 0.00 -3.90 -0.10 0.00 0.01 0.00 0.00 72.50 68.51 2pwe s THR 360 CO 0.00 -0.22 0.98 -2.16 -0.69 0.00 0.00 174.62 172.53 2pwe s PRO 361 N 2.03 4.42 -0.17 4.92 0.04 -1.26 -1.25 135.00 143.73 2pwe s PRO 361 Ca 0.11 1.38 0.01 0.00 0.04 0.00 0.00 61.00 62.54 2pwe s PRO 361 Cb -0.17 -2.67 0.02 0.00 0.04 0.00 0.00 34.50 31.73 2pwe s PRO 361 CO 0.12 0.12 -0.17 -0.06 0.04 0.00 0.00 177.00 177.05 2pwe s PHE 362 N -1.68 2.55 -0.22 0.56 0.40 -0.34 -1.10 117.98 118.16 2pwe s PHE 362 Ca 0.54 -1.52 -0.12 0.00 -0.60 0.00 0.00 56.93 55.23 2pwe s PHE 362 Cb -0.19 -1.78 -0.05 0.00 0.51 0.00 0.00 43.02 41.51 2pwe s PHE 362 CO 0.24 -0.76 0.22 0.42 0.70 0.00 0.00 175.22 176.04 2pwe s ILE 363 N 1.36 5.32 0.03 0.64 1.01 -0.30 -4.53 121.20 124.74 2pwe s ILE 363 Ca 0.04 0.32 -0.25 0.00 0.00 0.00 0.00 60.65 60.77 2pwe s ILE 363 Cb -0.13 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 2pwe s ILE 363 CO -0.12 0.33 0.75 0.12 0.00 0.00 0.00 174.94 176.03 2pwe s PHE 364 N 1.05 3.72 -0.05 3.97 5.36 -1.26 -0.12 117.98 130.65 2pwe s PHE 364 Ca 0.11 1.44 -0.39 0.00 -0.96 0.00 0.00 56.93 57.12 2pwe s PHE 364 Cb -0.14 -2.80 -0.18 0.00 -0.34 0.00 0.00 43.02 39.56 2pwe s PHE 364 CO 0.05 0.27 1.35 0.00 -1.46 0.00 0.00 175.22 175.42 2pwe n GLN 365 N 2.87 0.71 0.00 10.12 10.64 -0.79 -0.92 117.38 140.01 2pwe n GLN 365 Ca -0.03 0.26 0.00 0.00 -1.83 0.00 0.00 57.00 55.40 2pwe n GLN 365 Cb 0.50 -1.85 0.00 0.00 -0.86 0.00 0.00 30.24 28.03 2pwe n GLN 365 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2pwe n GLY 366 N 2.61 3.00 0.27 2.61 0.00 -1.26 -4.87 105.19 107.54 2pwe n GLY 366 Ca 0.21 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.33 2pwe n GLY 366 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pwe h ASP 367 N 0.00 0.00 0.54 1.61 3.32 -1.37 0.14 116.42 120.67 2pwe h ASP 367 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pwe h ASP 367 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2pwe h ASP 367 CO 0.00 0.09 0.00 -1.84 -1.72 0.00 0.00 179.24 175.77 2pwe n GLU 368 N -3.52 0.01 -0.01 3.56 0.00 -1.26 -2.28 120.64 117.15 2pwe n GLU 368 Ca -0.02 0.24 0.09 0.00 0.00 0.00 0.00 57.16 57.48 2pwe n GLU 368 Cb 0.22 -1.51 -0.13 0.00 0.00 0.00 0.00 31.44 30.02 2pwe n GLU 368 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2pwe n LEU 369 N -1.52 0.35 0.00 -1.84 4.77 0.47 -1.82 117.00 117.40 2pwe n LEU 369 Ca 0.04 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2pwe n LEU 369 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2pwe n LEU 369 CO 0.15 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2pwe n GLY 370 N 1.42 1.10 3.73 -0.72 0.00 -0.96 -4.78 105.19 104.98 2pwe n GLY 370 Ca -0.01 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 2pwe n GLY 370 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2pwe n MET 371 N -1.20 1.29 -4.68 1.61 2.81 -1.13 -4.99 117.12 110.82 2pwe n MET 371 Ca 0.00 0.49 -0.32 0.00 -1.81 0.00 0.00 57.70 56.06 2pwe n MET 371 Cb 0.22 -2.54 -0.08 0.00 -0.71 0.00 0.00 33.22 30.12 2pwe n MET 371 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2pwe s THR 372 N -1.36 1.32 1.11 2.03 -4.23 -1.26 -4.57 115.64 108.69 2pwe s THR 372 Ca 0.79 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 59.22 2pwe s THR 372 Cb -0.39 -2.29 0.25 0.00 1.34 0.00 0.00 72.50 71.41 2pwe s THR 372 CO 0.43 0.00 1.02 0.59 -0.54 0.00 0.00 174.62 176.12 2pwe n ASN 373 N -1.25 -1.26 -4.74 3.99 3.02 -1.26 -4.89 115.26 108.87 2pwe n ASN 373 Ca -0.16 -0.02 -0.34 0.00 -0.03 0.00 0.00 54.58 54.03 2pwe n ASN 373 Cb 0.67 -1.31 -0.08 0.00 -0.61 0.00 0.00 39.78 38.45 2pwe n ASN 373 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2pwe s TYR 374 N -2.46 3.26 -1.35 3.10 5.04 -1.26 -5.03 117.35 118.66 2pwe s TYR 374 Ca 0.68 0.24 -0.16 0.00 -2.44 0.00 0.00 57.07 55.39 2pwe s TYR 374 Cb -0.25 -1.79 0.03 0.00 0.35 0.00 0.00 41.96 40.31 2pwe s TYR 374 CO 0.64 0.54 2.02 -0.35 -1.34 0.00 0.00 175.55 177.05 2pwe n PRO 375 N 1.76 2.84 -1.94 4.97 -0.04 -1.26 -4.97 135.00 136.36 2pwe n PRO 375 Ca -0.17 -2.80 -0.41 0.00 -0.04 0.00 0.00 63.50 60.09 2pwe n PRO 375 Cb 0.53 -3.36 -0.01 0.00 -0.04 0.00 0.00 33.50 30.62 2pwe n PRO 375 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2pwe s PHE 376 N 4.02 2.80 -0.06 0.54 0.08 -1.26 -4.94 117.98 119.16 2pwe s PHE 376 Ca 0.51 1.25 0.05 0.00 0.12 0.00 0.00 56.93 58.87 2pwe s PHE 376 Cb 0.10 -3.87 -0.07 0.00 -0.57 0.00 0.00 43.02 38.60 2pwe s PHE 376 CO -0.00 -2.53 0.02 1.63 -0.10 0.00 0.00 175.22 174.24 2pwe n LYS 377 N 0.73 3.00 -4.19 0.44 4.76 -1.26 -5.06 118.16 116.58 2pwe n LYS 377 Ca 0.01 -0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.33 2pwe n LYS 377 Cb 0.40 -1.15 -0.10 0.00 -1.84 0.00 0.00 35.03 32.34 2pwe n LYS 377 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2pwe s THR 378 N -2.15 0.35 0.35 -0.18 -4.23 -1.26 -5.02 115.64 103.50 2pwe s THR 378 Ca -0.03 -1.94 0.38 0.00 -1.18 0.00 0.00 61.69 58.91 2pwe s THR 378 Cb 0.02 -2.11 0.41 0.00 1.34 0.00 0.00 72.50 72.15 2pwe s THR 378 CO 0.24 -0.43 2.15 -0.07 -0.54 0.00 0.00 174.62 175.96 2pwe h LEU 379 N 2.77 0.00 -0.13 4.79 3.38 -1.97 -1.93 115.31 122.22 2pwe h LEU 379 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2pwe h LEU 379 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2pwe h LEU 379 CO 0.60 0.01 0.00 0.00 0.09 0.00 0.00 178.44 179.15 2pwe n GLN 380 N -3.13 0.06 0.00 1.13 3.00 -1.26 -2.53 117.38 114.64 2pwe n GLN 380 Ca -0.01 0.22 0.15 0.00 -0.01 0.00 0.00 57.00 57.35 2pwe n GLN 380 Cb 0.21 -1.59 0.71 0.00 0.00 0.00 0.00 30.24 29.56 2pwe n GLN 380 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2pwe n ASP 381 N -1.70 0.25 -4.74 1.08 8.00 -0.73 -4.79 116.55 113.93 2pwe n ASP 381 Ca 0.04 -0.48 -0.36 0.00 0.71 0.00 0.00 54.79 54.71 2pwe n ASP 381 Cb 0.24 -0.14 -0.07 0.00 -0.02 0.00 0.00 41.12 41.12 2pwe n ASP 381 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2pwe s PHE 382 N -2.44 3.45 -0.13 1.24 0.40 -1.05 -4.95 117.98 114.50 2pwe s PHE 382 Ca 0.31 0.46 0.17 0.00 -0.60 0.00 0.00 56.93 57.27 2pwe s PHE 382 Cb 0.20 -2.22 -0.10 0.00 0.51 0.00 0.00 43.02 41.41 2pwe s PHE 382 CO 0.45 0.30 0.94 0.22 0.70 0.00 0.00 175.22 177.83 2pwe h ASP 383 N 6.55 0.00 -2.12 1.36 3.58 -1.89 -3.48 116.42 120.42 2pwe h ASP 383 Ca -0.42 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.42 2pwe h ASP 383 Cb 1.16 0.00 0.04 0.00 1.72 0.00 0.00 39.33 42.26 2pwe h ASP 383 CO 0.75 0.54 0.86 -0.67 -2.88 0.00 0.00 179.24 177.84 2pwe n ASP 384 N -2.94 3.04 0.26 2.28 2.03 -1.26 -4.88 116.55 115.08 2pwe n ASP 384 Ca -0.07 1.05 0.16 0.00 0.52 0.00 0.00 54.79 56.45 2pwe n ASP 384 Cb 0.81 -1.38 0.56 0.00 -0.72 0.00 0.00 41.12 40.39 2pwe n ASP 384 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2pwe h ILE 385 N 4.20 0.00 -0.29 5.18 3.07 -1.92 -2.45 117.51 125.30 2pwe h ILE 385 Ca -0.46 -0.61 -0.13 0.00 1.55 0.00 0.00 64.86 65.21 2pwe h ILE 385 Cb 1.27 1.60 -0.01 0.00 -0.27 0.00 0.00 36.82 39.41 2pwe h ILE 385 CO 0.90 0.00 -0.35 -0.08 -1.05 0.00 0.00 178.15 177.57 2pwe h GLU 386 N 0.00 0.64 -0.42 0.16 4.81 -1.90 -1.25 114.58 116.61 2pwe h GLU 386 Ca 0.00 -0.30 -0.13 0.00 -0.13 0.00 0.00 59.36 58.80 2pwe h GLU 386 Cb 0.62 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2pwe h GLU 386 CO 0.00 0.90 -0.24 0.28 -0.73 0.00 0.00 179.01 179.21 2pwe h VAL 387 N 0.54 1.28 -0.64 0.32 2.07 -1.83 -0.59 116.25 117.40 2pwe h VAL 387 Ca 0.06 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 2pwe h VAL 387 Cb 0.85 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 2pwe h VAL 387 CO 0.07 0.47 0.34 0.11 0.02 0.00 0.00 177.57 178.58 2pwe h LYS 388 N 0.73 0.88 -0.57 1.57 1.57 -1.36 -0.11 116.57 119.27 2pwe h LYS 388 Ca 0.09 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2pwe h LYS 388 Cb 0.82 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2pwe h LYS 388 CO 0.07 0.65 0.16 0.78 -0.57 0.00 0.00 179.45 180.54 2pwe h GLY 389 N 0.95 0.97 1.74 3.86 0.00 -0.88 -0.91 103.07 108.80 2pwe h GLY 389 Ca 0.22 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 2pwe h GLY 389 CO -0.04 0.55 -0.15 0.74 0.00 0.00 0.00 176.54 177.65 2pwe h PHE 390 N 0.82 0.34 -0.19 5.60 0.04 -0.02 -0.21 116.94 123.32 2pwe h PHE 390 Ca 0.18 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 2pwe h PHE 390 Cb 0.32 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 2pwe h PHE 390 CO 0.02 0.47 0.03 0.35 -0.60 0.00 0.00 178.31 178.58 2pwe h PHE 391 N 0.30 0.33 -0.56 -0.55 3.57 -0.61 0.39 116.94 119.80 2pwe h PHE 391 Ca 0.06 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2pwe h PHE 391 Cb 0.45 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 2pwe h PHE 391 CO 0.01 0.46 0.28 0.37 -2.23 0.00 0.00 178.31 177.20 2pwe h GLN 392 N 0.10 0.80 0.00 1.11 4.15 -0.80 -0.94 115.11 119.52 2pwe h GLN 392 Ca 0.06 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 2pwe h GLN 392 Cb 0.31 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 2pwe h GLN 392 CO 0.00 0.64 -0.50 -0.44 -1.93 0.00 0.00 178.83 176.61 2pwe h ASP 393 N 0.76 0.00 0.00 -0.69 3.32 -0.86 -3.35 116.42 115.59 2pwe h ASP 393 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2pwe h ASP 393 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2pwe h ASP 393 CO -0.03 0.25 -0.95 -1.22 -1.72 0.00 0.00 179.24 175.58 2pwe n TYR 394 N -3.06 0.00 -0.06 4.55 4.02 0.13 -4.56 117.16 118.18 2pwe n TYR 394 Ca 0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.86 2pwe n TYR 394 Cb 0.64 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.95 2pwe n TYR 394 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2pwe h VAL 395 N 0.00 0.00 -0.84 -0.72 2.07 -1.27 0.24 116.25 115.74 2pwe h VAL 395 Ca 0.00 -0.93 0.24 0.00 0.82 0.00 0.00 66.70 66.84 2pwe h VAL 395 Cb 0.71 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2pwe h VAL 395 CO 0.00 0.00 0.63 -0.33 0.02 0.00 0.00 177.57 177.89 2pwe h GLU 396 N -0.93 0.00 -0.06 1.57 5.08 -1.42 0.79 114.58 119.62 2pwe h GLU 396 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pwe h GLU 396 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2pwe h GLU 396 CO 0.00 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.26 2pwe n THR 397 N -4.20 0.06 -0.98 1.13 -2.24 -1.26 -4.93 114.28 101.86 2pwe n THR 397 Ca 0.17 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2pwe n THR 397 Cb 0.93 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 2pwe n THR 397 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwe n GLY 398 N 1.08 0.38 0.23 3.38 0.00 0.27 -4.88 105.19 105.66 2pwe n GLY 398 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 2pwe n GLY 398 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pwe h LYS 399 N 0.84 0.00 -2.97 1.61 1.57 -1.18 -3.46 116.57 112.98 2pwe h LYS 399 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2pwe h LYS 399 Cb 0.27 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.43 2pwe h LYS 399 CO 0.00 0.04 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 2pwe s ALA 400 N -3.36 -1.21 0.58 3.86 0.00 0.65 -5.00 121.76 117.27 2pwe s ALA 400 Ca 0.05 0.40 -0.04 0.00 0.00 0.00 0.00 51.96 52.36 2pwe s ALA 400 Cb 0.07 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.69 2pwe s ALA 400 CO 0.63 -0.55 0.87 0.95 0.00 0.00 0.00 175.76 177.66 2pwe s THR 401 N -2.85 3.51 0.32 0.00 -4.23 -1.26 -4.04 115.64 107.09 2pwe s THR 401 Ca -0.03 -0.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.35 2pwe s THR 401 Cb -0.00 -3.38 0.27 0.00 1.34 0.00 0.00 72.50 70.73 2pwe s THR 401 CO -0.05 -0.37 1.96 0.00 -0.54 0.00 0.00 174.62 175.63 2pwe h ALA 402 N -0.11 1.53 -0.29 3.99 0.00 -1.96 -1.36 119.26 121.05 2pwe h ALA 402 Ca -0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2pwe h ALA 402 Cb 1.26 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2pwe h ALA 402 CO 0.60 0.39 0.05 0.93 0.00 0.00 0.00 179.25 181.22 2pwe h GLU 403 N 0.96 0.48 -0.91 0.00 3.07 -1.99 -0.60 114.58 115.60 2pwe h GLU 403 Ca 0.31 -0.13 0.01 0.00 -0.50 0.00 0.00 59.36 59.05 2pwe h GLU 403 Cb 0.04 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 27.84 2pwe h GLU 403 CO -0.09 0.58 0.60 0.93 -1.40 0.00 0.00 179.01 179.63 2pwe h GLU 404 N 0.31 1.20 0.23 2.33 5.08 -1.85 -0.10 114.58 121.78 2pwe h GLU 404 Ca 0.09 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2pwe h GLU 404 Cb 0.33 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2pwe h GLU 404 CO 0.00 0.80 -0.11 1.25 -1.00 0.00 0.00 179.01 179.95 2pwe h LEU 405 N 1.24 -0.26 -0.14 1.33 5.85 -0.94 -2.84 115.31 119.53 2pwe h LEU 405 Ca 0.33 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.04 2pwe h LEU 405 Cb -0.13 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 2pwe h LEU 405 CO -0.07 -0.12 -0.15 0.25 -0.34 0.00 0.00 178.44 178.01 2pwe h LEU 406 N -0.39 -0.48 -1.13 2.25 5.85 -0.85 0.16 115.31 120.72 2pwe h LEU 406 Ca -0.03 0.09 0.23 0.00 0.84 0.00 0.00 57.88 59.01 2pwe h LEU 406 Cb 0.30 0.23 -0.11 0.00 0.37 0.00 0.00 40.66 41.45 2pwe h LEU 406 CO 0.05 -0.20 0.62 0.74 -0.34 0.00 0.00 178.44 179.32 2pwe h THR 407 N -0.18 0.58 0.00 1.05 2.02 -0.98 -1.29 112.91 114.11 2pwe h THR 407 Ca 0.10 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 66.95 2pwe h THR 407 Cb 0.33 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 2pwe h THR 407 CO -0.25 0.10 -0.78 0.78 0.37 0.00 0.00 175.52 175.74 2pwe h ASN 408 N 0.57 0.00 0.42 4.18 2.35 -1.16 -3.37 115.58 118.58 2pwe h ASN 408 Ca 0.61 -0.53 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2pwe h ASN 408 Cb 1.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 2pwe h ASN 408 CO -0.39 1.22 -0.01 -0.37 -1.65 0.00 0.00 177.43 176.23 2pwe h VAL 409 N -1.00 0.07 0.00 2.81 -1.51 -0.65 0.12 116.25 116.08 2pwe h VAL 409 Ca -0.20 -0.25 -0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2pwe h VAL 409 Cb 1.05 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 31.44 2pwe h VAL 409 CO -0.12 0.01 -0.01 0.00 -1.23 0.00 0.00 177.57 176.22 2pwe h ALA 410 N 1.99 1.71 0.00 5.19 0.00 -1.39 0.32 119.26 127.08 2pwe h ALA 410 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pwe h ALA 410 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2pwe h ALA 410 CO 0.00 0.01 -1.45 1.28 0.00 0.00 0.00 179.25 179.09 2pwe n LEU 411 N -4.12 0.45 -0.00 0.00 4.77 0.01 -4.55 117.00 113.55 2pwe n LEU 411 Ca -0.03 0.14 0.02 0.00 -0.03 0.00 0.00 56.01 56.12 2pwe n LEU 411 Cb 0.09 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 2pwe n LEU 411 CO 0.30 -0.08 -0.55 0.35 -1.33 0.00 0.00 177.39 176.08 2pwe n THR 412 N -2.41 0.00 -1.65 -5.08 -2.24 -0.83 -4.67 114.28 97.40 2pwe n THR 412 Ca -0.02 -0.11 -0.45 0.00 -2.27 0.00 0.00 64.05 61.20 2pwe n THR 412 Cb 0.55 0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 2pwe n THR 412 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2pwe n SER 413 N -1.66 2.33 0.17 3.42 2.88 0.11 -4.05 113.62 116.81 2pwe n SER 413 Ca -0.01 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.81 2pwe n SER 413 Cb 0.12 -1.37 0.58 0.00 -0.75 0.00 0.00 64.21 62.79 2pwe n SER 413 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2pwe h ARG 414 N 3.72 0.00 0.00 -1.46 0.11 -1.83 -1.64 114.38 113.29 2pwe h ARG 414 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2pwe h ARG 414 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 2pwe h ARG 414 CO 0.72 0.00 0.00 -0.44 0.10 0.00 0.00 179.97 180.35 2pwe h ASP 415 N 0.00 0.00 0.09 0.08 3.32 -1.88 0.15 116.42 118.18 2pwe h ASP 415 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2pwe h ASP 415 Cb 0.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 2pwe h ASP 415 CO 0.00 0.00 -0.06 0.78 -1.72 0.00 0.00 179.24 178.24 2pwe h ASN 416 N 0.00 0.00 0.16 6.45 2.35 -1.58 -1.61 115.58 121.35 2pwe h ASN 416 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2pwe h ASN 416 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2pwe h ASN 416 CO 0.00 0.06 -0.33 0.00 -1.65 0.00 0.00 177.43 175.51 2pwe n ALA 417 N -2.43 3.23 0.42 -0.83 0.00 0.51 -4.28 120.51 117.12 2pwe n ALA 417 Ca -0.03 -0.47 0.09 0.00 0.00 0.00 0.00 53.44 53.03 2pwe n ALA 417 Cb 0.14 -1.03 0.13 0.00 0.00 0.00 0.00 19.45 18.69 2pwe n ALA 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pwe n ARG 418 N -0.48 1.95 -2.18 0.00 1.74 -0.61 -4.90 116.66 112.18 2pwe n ARG 418 Ca 0.11 -1.86 -0.37 0.00 -0.77 0.00 0.00 57.85 54.97 2pwe n ARG 418 Cb 0.38 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 2pwe n ARG 418 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2pwe s THR 419 N -1.35 2.94 0.34 0.55 -4.23 -1.22 -4.78 115.64 107.89 2pwe s THR 419 Ca 0.27 0.68 -0.26 0.00 -1.18 0.00 0.00 61.69 61.20 2pwe s THR 419 Cb 0.17 -3.33 -0.14 0.00 1.34 0.00 0.00 72.50 70.54 2pwe s THR 419 CO 0.24 -0.04 0.78 -2.65 -0.54 0.00 0.00 174.62 172.41 2pwe n PRO 420 N -0.76 0.88 -1.75 3.99 -0.02 -1.26 -4.91 135.00 131.16 2pwe n PRO 420 Ca 0.09 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.47 2pwe n PRO 420 Cb 0.48 -1.62 0.01 0.00 -0.02 0.00 0.00 33.50 32.34 2pwe n PRO 420 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2pwe n PHE 421 N -0.27 2.73 -3.31 6.00 -0.00 -0.30 -4.79 117.46 117.53 2pwe n PHE 421 Ca 0.11 0.46 -0.47 0.00 -0.00 0.00 0.00 57.45 57.56 2pwe n PHE 421 Cb 0.34 -2.48 -0.03 0.00 -0.00 0.00 0.00 39.48 37.32 2pwe n PHE 421 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2pwe s GLN 422 N -2.21 3.43 0.06 -4.13 -0.21 -1.26 -4.49 119.66 110.85 2pwe s GLN 422 Ca 0.57 -2.21 -0.16 0.00 0.02 0.00 0.00 55.36 53.58 2pwe s GLN 422 Cb -0.48 -4.40 -0.18 0.00 1.00 0.00 0.00 33.01 28.95 2pwe s GLN 422 CO 0.61 -1.32 1.24 -1.49 -2.12 0.00 0.00 175.29 172.21 2pwe h TRP 423 N 8.14 0.87 -1.20 0.91 4.06 -1.54 0.20 115.95 127.39 2pwe h TRP 423 Ca -0.01 -0.40 0.00 0.00 2.06 0.00 0.00 58.89 60.54 2pwe h TRP 423 Cb 1.06 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 29.09 2pwe h TRP 423 CO 0.95 1.21 0.00 -0.40 -3.56 0.00 0.00 178.44 176.64 2pwe n ASP 424 N -4.09 0.00 -1.45 -3.49 5.68 -0.86 -0.30 116.55 112.03 2pwe n ASP 424 Ca -0.08 -0.22 -0.05 0.00 -0.50 0.00 0.00 54.79 53.93 2pwe n ASP 424 Cb 0.69 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.90 2pwe n ASP 424 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2pwe n ASP 425 N -0.22 3.48 -3.09 -1.12 5.68 -1.26 -4.24 116.55 115.79 2pwe n ASP 425 Ca 0.00 -3.47 -0.16 0.00 -0.50 0.00 0.00 54.79 50.66 2pwe n ASP 425 Cb 0.00 -0.67 0.11 0.00 -1.14 0.00 0.00 41.12 39.42 2pwe n ASP 425 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2pwe n SER 426 N -0.80 0.12 -4.65 -1.12 3.41 -1.26 -4.85 113.62 104.47 2pwe n SER 426 Ca 0.37 -1.30 -0.46 0.00 -0.26 0.00 0.00 58.87 57.22 2pwe n SER 426 Cb 1.19 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 2pwe n SER 426 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pwe n ALA 427 N -3.43 0.69 -4.11 7.33 0.00 -1.26 -1.64 120.51 118.09 2pwe n ALA 427 Ca -0.12 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 2pwe n ALA 427 Cb 0.32 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 2pwe n ALA 427 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pwe n ASN 428 N 2.22 -1.91 -2.85 0.00 5.03 -1.26 -1.79 115.26 114.70 2pwe n ASN 428 Ca 0.13 -1.01 -0.13 0.00 0.87 0.00 0.00 54.58 54.44 2pwe n ASN 428 Cb 0.30 -2.86 -0.01 0.00 -1.02 0.00 0.00 39.78 36.18 2pwe n ASN 428 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pwe n ALA 429 N -4.42 -0.97 -0.97 5.41 0.00 -0.65 -1.15 120.51 117.77 2pwe n ALA 429 Ca -0.11 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2pwe n ALA 429 Cb 0.58 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2pwe n ALA 429 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwe n GLY 430 N -0.79 0.39 0.13 0.00 0.00 -0.74 -1.34 105.19 102.84 2pwe n GLY 430 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 2pwe n GLY 430 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pwe h PHE 431 N 0.00 0.26 -3.18 1.61 3.57 -1.33 -3.46 116.94 114.41 2pwe h PHE 431 Ca 0.00 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.32 2pwe h PHE 431 Cb 0.28 -0.03 -0.12 0.00 2.79 0.00 0.00 35.95 38.87 2pwe h PHE 431 CO 0.18 0.94 0.08 -0.08 -2.23 0.00 0.00 178.31 177.21 2pwe s THR 432 N -3.24 0.03 -2.74 4.41 -1.32 -1.26 -1.30 115.64 110.23 2pwe s THR 432 Ca -0.03 -0.27 0.22 0.00 -1.21 0.00 0.00 61.69 60.41 2pwe s THR 432 Cb 0.10 -1.08 0.16 0.00 -1.51 0.00 0.00 72.50 70.17 2pwe s THR 432 CO 0.82 -0.14 1.20 0.35 -2.21 0.00 0.00 174.62 174.64 2pwe n THR 433 N -0.31 0.00 -0.17 5.08 -2.24 -1.26 -4.71 114.28 110.67 2pwe n THR 433 Ca -0.16 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2pwe n THR 433 Cb 0.64 1.45 0.00 0.00 -2.10 0.00 0.00 70.33 70.32 2pwe n THR 433 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwe n GLY 434 N 1.28 3.87 3.40 3.38 0.00 -1.26 -4.98 105.19 110.89 2pwe n GLY 434 Ca 0.13 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 2pwe n GLY 434 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pwe s LYS 435 N 4.77 3.43 0.38 1.61 2.20 -1.26 -4.93 119.74 125.94 2pwe s LYS 435 Ca 0.00 -0.63 -0.27 0.00 -0.36 0.00 0.00 55.97 54.71 2pwe s LYS 435 Cb 0.00 -3.34 -0.11 0.00 -1.51 0.00 0.00 37.83 32.87 2pwe s LYS 435 CO 0.00 -0.29 1.38 -0.35 -0.36 0.00 0.00 175.35 175.73 2pwe n PRO 436 N 4.90 2.33 0.28 4.03 -0.04 -1.26 -3.97 135.00 141.27 2pwe n PRO 436 Ca -0.16 0.82 0.12 0.00 -0.04 0.00 0.00 63.50 64.24 2pwe n PRO 436 Cb 0.50 -2.51 0.78 0.00 -0.04 0.00 0.00 33.50 32.23 2pwe n PRO 436 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2pwe h TRP 437 N 2.60 0.00 -3.67 0.54 5.08 -1.57 -3.39 115.95 115.54 2pwe h TRP 437 Ca -0.49 0.00 -0.36 0.00 1.08 0.00 0.00 58.89 59.13 2pwe h TRP 437 Cb 1.27 0.00 -0.31 0.00 -3.00 0.00 0.00 29.16 27.11 2pwe h TRP 437 CO 0.51 0.03 -0.76 -1.17 -1.28 0.00 0.00 178.44 175.77 2pwe s LEU 438 N -8.10 1.59 0.20 0.11 2.96 -1.26 -5.06 118.68 109.12 2pwe s LEU 438 Ca -0.05 -0.09 -0.32 0.00 -0.22 0.00 0.00 54.13 53.46 2pwe s LEU 438 Cb 0.15 -0.31 -0.15 0.00 0.50 0.00 0.00 46.19 46.38 2pwe s LEU 438 CO 0.60 -0.01 1.21 0.29 -1.32 0.00 0.00 176.35 177.11 2pwe n LYS 439 N 3.58 1.39 -2.55 1.98 5.02 -1.26 -4.34 118.16 121.99 2pwe n LYS 439 Ca -0.20 0.50 -0.34 0.00 -2.02 0.00 0.00 58.31 56.24 2pwe n LYS 439 Cb 0.54 -2.02 -0.04 0.00 -0.02 0.00 0.00 35.03 33.49 2pwe n LYS 439 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2pwe s VAL 440 N -0.24 3.79 0.26 -0.18 1.01 -1.26 -4.50 120.40 119.26 2pwe s VAL 440 Ca 0.70 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 63.55 2pwe s VAL 440 Cb -0.79 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 2pwe s VAL 440 CO 0.52 -0.19 1.22 0.21 0.00 0.00 0.00 175.10 176.86 2pwe s ASN 441 N -1.90 7.02 0.58 3.32 3.84 -1.26 -4.90 114.94 121.65 2pwe s ASN 441 Ca 0.65 2.40 0.34 0.00 0.21 0.00 0.00 52.86 56.46 2pwe s ASN 441 Cb -0.17 -2.62 1.77 0.00 -0.55 0.00 0.00 41.25 39.67 2pwe s ASN 441 CO 0.21 -0.37 2.17 -0.65 -2.79 0.00 0.00 177.10 175.67 2pwe h PRO 442 N 4.34 0.00 -0.28 0.43 0.11 -1.98 -2.65 132.00 131.97 2pwe h PRO 442 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2pwe h PRO 442 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2pwe h PRO 442 CO 0.70 0.05 0.00 0.27 -0.21 0.00 0.00 178.00 178.81 2pwe n ASN 443 N -3.42 0.28 0.28 -2.05 0.23 -1.26 -3.28 115.26 106.03 2pwe n ASN 443 Ca -0.02 -1.33 0.17 0.00 -0.53 0.00 0.00 54.58 52.87 2pwe n ASN 443 Cb 0.18 -0.14 0.74 0.00 -2.08 0.00 0.00 39.78 38.48 2pwe n ASN 443 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 2pwe h TYR 444 N 0.14 0.00 -0.26 -2.53 -0.00 -1.66 0.39 116.97 113.05 2pwe h TYR 444 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.70 2pwe h TYR 444 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.85 2pwe h TYR 444 CO 0.00 0.04 0.05 1.79 -0.00 0.00 0.00 178.16 180.04 2pwe h THR 445 N 0.00 1.14 0.00 -0.90 1.35 -1.85 -3.06 112.91 109.59 2pwe h THR 445 Ca -0.00 -0.48 -0.07 0.00 -0.55 0.00 0.00 66.41 65.30 2pwe h THR 445 Cb 0.45 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 2pwe h THR 445 CO 0.01 0.17 -1.80 -0.62 -0.25 0.00 0.00 175.52 173.02 2pwe n GLU 446 N -4.38 0.79 -3.98 4.72 4.71 -0.93 -4.86 120.64 116.72 2pwe n GLU 446 Ca 0.01 -0.11 -0.32 0.00 -0.01 0.00 0.00 57.16 56.73 2pwe n GLU 446 Cb 0.17 -1.38 -0.14 0.00 -1.01 0.00 0.00 31.44 29.08 2pwe n GLU 446 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2pwe s ILE 447 N -2.89 2.49 0.08 -3.67 1.01 0.08 -5.00 121.20 113.30 2pwe s ILE 447 Ca -0.06 -2.17 -0.22 0.00 0.00 0.00 0.00 60.65 58.20 2pwe s ILE 447 Cb 0.08 -2.75 0.05 0.00 0.01 0.00 0.00 42.46 39.86 2pwe s ILE 447 CO 0.64 -0.53 0.53 0.54 0.00 0.00 0.00 174.94 176.12 2pwe s ASN 448 N 1.11 -0.44 0.08 3.58 2.20 -1.26 -4.31 114.94 115.90 2pwe s ASN 448 Ca 0.07 0.08 -0.23 0.00 -0.94 0.00 0.00 52.86 51.84 2pwe s ASN 448 Cb -0.20 0.52 -0.15 0.00 -2.00 0.00 0.00 41.25 39.42 2pwe s ASN 448 CO -0.07 -0.79 1.71 0.00 -2.94 0.00 0.00 177.10 175.01 2pwe h ALA 449 N 2.54 0.02 -0.80 3.54 0.00 -0.51 -2.63 119.26 121.42 2pwe h ALA 449 Ca -0.32 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.71 2pwe h ALA 449 Cb 1.24 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 2pwe h ALA 449 CO 0.41 -0.47 0.52 0.00 0.00 0.00 0.00 179.25 179.72 2pwe h ALA 450 N 0.97 1.97 0.00 0.00 0.00 -0.94 0.48 119.26 121.74 2pwe h ALA 450 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 2pwe h ALA 450 Cb 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2pwe h ALA 450 CO -0.00 -0.17 -0.85 -0.09 0.00 0.00 0.00 179.25 178.14 2pwe h ARG 451 N 0.55 0.05 0.02 0.00 2.43 -1.77 -3.34 114.38 112.32 2pwe h ARG 451 Ca 0.39 -0.06 -0.30 0.00 -0.81 0.00 0.00 59.98 59.20 2pwe h ARG 451 Cb 0.73 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 2pwe h ARG 451 CO -0.15 0.87 -1.71 0.93 -1.51 0.00 0.00 179.97 178.40 2pwe h GLU 452 N 0.03 0.04 -0.95 0.20 5.08 -0.88 -3.39 114.58 114.72 2pwe h GLU 452 Ca -0.02 -0.07 0.17 0.00 -1.00 0.00 0.00 59.36 58.45 2pwe h GLU 452 Cb 1.48 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.66 2pwe h GLU 452 CO 0.12 0.62 0.55 0.82 -1.00 0.00 0.00 179.01 180.11 2pwe h ILE 453 N 0.01 0.71 -0.00 3.13 2.04 -1.07 -2.11 117.51 120.22 2pwe h ILE 453 Ca -0.29 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2pwe h ILE 453 Cb 2.01 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2pwe h ILE 453 CO 0.08 0.13 -0.50 0.61 0.00 0.00 0.00 178.15 178.48 2pwe n GLY 454 N -1.33 -1.25 3.51 5.37 0.00 -1.26 -4.81 105.19 105.43 2pwe n GLY 454 Ca 0.21 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2pwe n GLY 454 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pwe s ASP 455 N -3.00 6.26 0.64 1.61 2.15 -0.80 -4.93 116.67 118.60 2pwe s ASP 455 Ca 0.11 -0.42 0.29 0.00 0.43 0.00 0.00 52.55 52.97 2pwe s ASP 455 Cb 0.18 -2.26 1.58 0.00 -0.30 0.00 0.00 42.92 42.11 2pwe s ASP 455 CO 0.70 -0.60 1.92 -0.65 -0.17 0.00 0.00 175.17 176.37 2pwe h PRO 456 N 8.70 0.00 -0.14 4.34 0.11 -1.87 -0.86 132.00 142.28 2pwe h PRO 456 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2pwe h PRO 456 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2pwe h PRO 456 CO 0.81 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.23 2pwe n LYS 457 N -3.22 2.21 -1.19 1.05 5.02 -1.26 -4.70 118.16 116.07 2pwe n LYS 457 Ca 0.02 -1.96 -0.29 0.00 -2.02 0.00 0.00 58.31 54.06 2pwe n LYS 457 Cb 0.47 -1.45 0.18 0.00 -0.02 0.00 0.00 35.03 34.21 2pwe n LYS 457 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2pwe s SER 458 N -1.72 2.60 0.16 4.39 1.04 -0.33 -4.89 113.70 114.96 2pwe s SER 458 Ca 0.29 1.15 -0.10 0.00 0.48 0.00 0.00 55.95 57.78 2pwe s SER 458 Cb 0.20 -1.81 0.02 0.00 0.10 0.00 0.00 66.02 64.52 2pwe s SER 458 CO 0.29 -3.14 1.57 0.58 0.98 0.00 0.00 173.24 173.51 2pwe h VAL 459 N -1.90 1.27 -0.43 5.02 2.07 -1.86 -2.75 116.25 117.67 2pwe h VAL 459 Ca -0.55 -1.33 0.07 0.00 0.82 0.00 0.00 66.70 65.71 2pwe h VAL 459 Cb 1.33 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 32.10 2pwe h VAL 459 CO 0.58 0.46 0.09 0.22 0.02 0.00 0.00 177.57 178.95 2pwe h TYR 460 N 0.88 0.15 -0.37 1.57 5.03 -1.66 -1.40 116.97 121.17 2pwe h TYR 460 Ca 0.12 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.40 2pwe h TYR 460 Cb 0.74 -0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.00 2pwe h TYR 460 CO 0.05 0.02 -0.02 0.77 -1.32 0.00 0.00 178.16 177.66 2pwe h SER 461 N 0.23 0.56 -0.52 -2.11 0.02 -1.79 0.51 113.55 110.45 2pwe h SER 461 Ca 0.21 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 2pwe h SER 461 Cb 0.25 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2pwe h SER 461 CO -0.26 0.65 -0.13 0.15 -1.14 0.00 0.00 176.83 176.10 2pwe h PHE 462 N 0.56 1.13 -0.29 3.45 3.57 -1.10 0.19 116.94 124.45 2pwe h PHE 462 Ca 0.12 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 2pwe h PHE 462 Cb 0.39 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2pwe h PHE 462 CO 0.02 1.06 0.09 1.88 -2.23 0.00 0.00 178.31 179.13 2pwe h TYR 463 N 0.87 0.47 -0.46 0.41 -1.99 -0.56 -0.21 116.97 115.50 2pwe h TYR 463 Ca 0.13 -0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.86 2pwe h TYR 463 Cb 0.70 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 39.25 2pwe h TYR 463 CO 0.05 0.50 0.21 -0.09 -0.00 0.00 0.00 178.16 178.83 2pwe h ARG 464 N 0.31 0.41 -0.66 4.88 2.43 -0.73 0.88 114.38 121.90 2pwe h ARG 464 Ca 0.09 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 2pwe h ARG 464 Cb 0.25 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 2pwe h ARG 464 CO -0.00 0.27 0.19 -0.91 -1.51 0.00 0.00 179.97 178.01 2pwe h ASN 465 N 0.42 0.96 -0.16 -3.80 2.35 -0.80 -2.22 115.58 112.34 2pwe h ASN 465 Ca 0.20 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2pwe h ASN 465 Cb 0.14 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2pwe h ASN 465 CO -0.16 0.92 0.06 -0.07 -1.65 0.00 0.00 177.43 176.53 2pwe h LEU 466 N 0.96 0.22 -0.76 1.61 3.38 -0.40 -1.26 115.31 119.06 2pwe h LEU 466 Ca 0.21 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.10 2pwe h LEU 466 Cb 0.31 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 2pwe h LEU 466 CO -0.00 0.33 0.40 0.40 0.09 0.00 0.00 178.44 179.66 2pwe h ILE 467 N 0.09 0.88 -0.41 1.22 2.04 -0.74 0.62 117.51 121.21 2pwe h ILE 467 Ca 0.05 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 2pwe h ILE 467 Cb 0.18 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2pwe h ILE 467 CO -0.00 0.12 0.25 0.28 0.00 0.00 0.00 178.15 178.80 2pwe h SER 468 N 0.68 0.49 -0.59 1.72 0.02 -1.05 -0.32 113.55 114.50 2pwe h SER 468 Ca 0.37 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 2pwe h SER 468 Cb 0.36 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 2pwe h SER 468 CO -0.26 0.40 0.25 0.40 -1.14 0.00 0.00 176.83 176.49 2pwe h ILE 469 N 0.54 1.22 -0.31 3.27 2.04 -0.45 -2.21 117.51 121.62 2pwe h ILE 469 Ca 0.15 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 2pwe h ILE 469 Cb -0.00 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2pwe h ILE 469 CO -0.03 0.27 0.12 -0.09 0.00 0.00 0.00 178.15 178.41 2pwe h ARG 470 N 0.81 0.47 -0.53 2.37 2.43 -0.59 -1.90 114.38 117.44 2pwe h ARG 470 Ca 0.20 -0.09 0.14 0.00 -0.81 0.00 0.00 59.98 59.41 2pwe h ARG 470 Cb 0.18 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2pwe h ARG 470 CO -0.02 0.49 0.37 0.45 -1.51 0.00 0.00 179.97 179.75 2pwe h HIS 471 N 0.35 0.11 -0.05 2.20 3.86 -0.78 -1.53 115.15 119.30 2pwe h HIS 471 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2pwe h HIS 471 Cb 0.20 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2pwe h HIS 471 CO -0.00 0.05 0.00 0.39 0.86 0.00 0.00 177.93 179.22 2pwe n GLU 472 N -4.41 2.22 -3.84 2.45 1.02 -0.86 -4.74 120.64 112.48 2pwe n GLU 472 Ca 0.09 -1.78 -0.30 0.00 -0.02 0.00 0.00 57.16 55.16 2pwe n GLU 472 Cb 0.53 -1.47 -0.14 0.00 -0.02 0.00 0.00 31.44 30.35 2pwe n GLU 472 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2pwe s THR 473 N -1.97 1.79 0.31 2.62 2.01 -0.58 -4.99 115.64 114.84 2pwe s THR 473 Ca 0.30 -2.50 0.08 0.00 0.31 0.00 0.00 61.69 59.89 2pwe s THR 473 Cb 0.20 -2.28 0.30 0.00 0.01 0.00 0.00 72.50 70.74 2pwe s THR 473 CO 0.31 -0.77 1.73 -0.65 -0.69 0.00 0.00 174.62 174.55 2pwe h PRO 474 N 7.10 0.58 -0.32 4.92 0.11 -1.85 -0.26 132.00 142.28 2pwe h PRO 474 Ca -0.06 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.10 2pwe h PRO 474 Cb 0.95 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 2pwe h PRO 474 CO 0.54 0.38 0.23 0.00 -0.21 0.00 0.00 178.00 178.94 2pwe h ALA 475 N 1.71 2.24 0.00 -0.75 0.00 -1.90 -1.62 119.26 118.95 2pwe h ALA 475 Ca 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.52 2pwe h ALA 475 Cb 1.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2pwe h ALA 475 CO -0.46 -0.33 0.00 1.28 0.00 0.00 0.00 179.25 179.74 2pwe n LEU 476 N -4.45 0.00 -0.02 0.00 4.77 -0.11 -1.38 117.00 115.81 2pwe n LEU 476 Ca 0.04 0.47 -0.04 0.00 -0.03 0.00 0.00 56.01 56.46 2pwe n LEU 476 Cb 0.37 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2pwe n LEU 476 CO 0.35 -0.06 -0.31 -1.54 -1.33 0.00 0.00 177.39 174.50 2pwe n SER 477 N -1.47 1.36 -1.06 -1.43 3.41 -0.67 -4.49 113.62 109.27 2pwe n SER 477 Ca 0.07 0.21 0.12 0.00 -0.26 0.00 0.00 58.87 59.00 2pwe n SER 477 Cb 0.28 -0.51 0.23 0.00 -0.26 0.00 0.00 64.21 63.95 2pwe n SER 477 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2pwe n THR 478 N -3.82 0.42 -1.46 6.66 -2.24 -0.84 -3.63 114.28 109.36 2pwe n THR 478 Ca -0.06 -0.67 -0.30 0.00 -2.27 0.00 0.00 64.05 60.75 2pwe n THR 478 Cb 0.23 0.94 0.11 0.00 -2.10 0.00 0.00 70.33 69.51 2pwe n THR 478 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2pwe s GLY 479 N -1.55 1.62 0.95 3.38 0.00 -0.48 -4.98 107.32 106.25 2pwe s GLY 479 Ca 0.37 -0.21 -0.11 0.00 0.00 0.00 0.00 44.72 44.77 2pwe s GLY 479 CO 0.31 0.25 1.09 -1.35 0.00 0.00 0.00 173.10 173.40 2pwe s SER 480 N -3.80 2.89 -0.02 1.64 1.04 0.70 -4.66 113.70 111.50 2pwe s SER 480 Ca 0.62 1.71 0.03 0.00 0.48 0.00 0.00 55.95 58.79 2pwe s SER 480 Cb -0.15 -2.34 -0.00 0.00 0.10 0.00 0.00 66.02 63.62 2pwe s SER 480 CO 0.55 -3.04 -0.11 -0.47 0.98 0.00 0.00 173.24 171.15 2pwe s TYR 481 N -2.76 1.06 -0.12 5.02 5.04 -1.26 -2.35 117.35 121.98 2pwe s TYR 481 Ca 0.65 -0.24 -0.05 0.00 -2.44 0.00 0.00 57.07 54.99 2pwe s TYR 481 Cb -0.21 -0.71 0.06 0.00 0.35 0.00 0.00 41.96 41.45 2pwe s TYR 481 CO 0.59 -0.07 0.25 0.50 -1.34 0.00 0.00 175.55 175.48 2pwe s ARG 482 N -0.03 0.14 -0.02 4.97 3.52 -0.70 -4.99 118.95 121.84 2pwe s ARG 482 Ca 0.00 0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 56.00 2pwe s ARG 482 Cb -0.07 -0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.21 2pwe s ARG 482 CO 0.00 -0.27 1.16 0.34 -0.81 0.00 0.00 175.30 175.72 2pwe s ASP 483 N 2.25 7.11 0.30 -2.12 -1.08 -1.26 -1.38 116.67 120.49 2pwe s ASP 483 Ca 0.00 1.83 0.15 0.00 -0.52 0.00 0.00 52.55 54.02 2pwe s ASP 483 Cb -0.12 -2.56 0.31 0.00 -1.46 0.00 0.00 42.92 39.09 2pwe s ASP 483 CO -0.08 -0.51 1.56 0.40 0.52 0.00 0.00 175.17 177.06 2pwe h ILE 484 N 4.86 1.03 -1.15 4.11 2.04 -1.63 -3.42 117.51 123.34 2pwe h ILE 484 Ca -0.37 -2.08 -0.18 0.00 1.00 0.00 0.00 64.86 63.23 2pwe h ILE 484 Cb 1.18 2.25 -0.19 0.00 -0.74 0.00 0.00 36.82 39.32 2pwe h ILE 484 CO 0.85 0.51 -0.53 -0.62 0.00 0.00 0.00 178.15 178.36 2pwe s ASP 485 N -6.51 -1.12 0.63 1.72 2.15 -1.26 -5.00 116.67 107.28 2pwe s ASP 485 Ca 0.02 -1.67 0.25 0.00 0.43 0.00 0.00 52.55 51.57 2pwe s ASP 485 Cb 0.10 1.66 1.25 0.00 -0.30 0.00 0.00 42.92 45.62 2pwe s ASP 485 CO 0.73 -0.09 1.70 -0.65 -0.17 0.00 0.00 175.17 176.69 2pwe h PRO 486 N 5.50 0.00 0.00 4.34 0.11 -1.94 -1.25 132.00 138.76 2pwe h PRO 486 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2pwe h PRO 486 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2pwe h PRO 486 CO 0.06 0.00 -0.90 -1.13 -0.21 0.00 0.00 178.00 175.83 2pwe n SER 487 N -3.14 0.65 -4.70 -2.05 3.41 -1.26 -4.61 113.62 101.92 2pwe n SER 487 Ca 0.05 -0.36 -0.42 0.00 -0.26 0.00 0.00 58.87 57.87 2pwe n SER 487 Cb 0.71 0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 65.33 2pwe n SER 487 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2pwe s ASN 488 N -3.53 6.89 -0.10 4.04 3.84 -0.47 -4.83 114.94 120.78 2pwe s ASN 488 Ca 0.06 2.17 0.14 0.00 0.21 0.00 0.00 52.86 55.45 2pwe s ASN 488 Cb 0.15 -2.57 0.47 0.00 -0.55 0.00 0.00 41.25 38.75 2pwe s ASN 488 CO 0.79 -0.64 1.39 0.00 -2.79 0.00 0.00 177.10 175.85 2pwe n ALA 489 N 4.55 2.69 -0.04 1.71 0.00 -1.26 -4.06 120.51 124.09 2pwe n ALA 489 Ca 0.12 -1.71 -0.09 0.00 0.00 0.00 0.00 53.44 51.75 2pwe n ALA 489 Cb 0.44 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 2pwe n ALA 489 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pwe n ASP 490 N 0.19 0.90 -4.02 0.00 8.00 -1.26 -4.26 116.55 116.10 2pwe n ASP 490 Ca 0.18 0.09 -0.28 0.00 0.71 0.00 0.00 54.79 55.49 2pwe n ASP 490 Cb 0.71 -0.25 -0.17 0.00 -0.02 0.00 0.00 41.12 41.39 2pwe n ASP 490 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pwe s VAL 491 N -2.16 1.41 -0.38 2.53 1.01 -1.26 -1.23 120.40 120.32 2pwe s VAL 491 Ca -0.12 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.06 2pwe s VAL 491 Cb 0.05 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 35.12 2pwe s VAL 491 CO 0.16 0.43 0.74 -0.47 0.00 0.00 0.00 175.10 175.96 2pwe s TYR 492 N 1.19 3.10 -0.05 5.22 5.04 -0.32 -4.90 117.35 126.64 2pwe s TYR 492 Ca -0.03 0.43 0.03 0.00 -2.44 0.00 0.00 57.07 55.06 2pwe s TYR 492 Cb -0.14 -3.37 0.01 0.00 0.35 0.00 0.00 41.96 38.81 2pwe s TYR 492 CO -0.04 -0.75 -0.12 0.00 -1.34 0.00 0.00 175.55 173.30 2pwe s ALA 493 N 3.02 1.19 0.20 3.97 0.00 -1.26 -0.78 121.76 128.09 2pwe s ALA 493 Ca 0.29 -0.45 -0.17 0.00 0.00 0.00 0.00 51.96 51.63 2pwe s ALA 493 Cb -0.13 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.54 2pwe s ALA 493 CO 0.17 0.16 0.51 1.52 0.00 0.00 0.00 175.76 178.13 2pwe s TYR 494 N 0.35 -0.06 0.18 0.00 1.13 -0.56 -1.50 117.35 116.89 2pwe s TYR 494 Ca -0.08 -0.29 0.10 0.00 -1.41 0.00 0.00 57.07 55.40 2pwe s TYR 494 Cb -0.12 0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 41.06 2pwe s TYR 494 CO 0.02 -0.92 -0.19 0.95 -2.51 0.00 0.00 175.55 172.90 2pwe s THR 495 N -3.89 2.64 -0.04 -3.49 -4.23 -0.48 -0.42 115.64 105.74 2pwe s THR 495 Ca 0.10 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 58.80 2pwe s THR 495 Cb -0.01 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.57 2pwe s THR 495 CO -0.02 -0.07 -0.13 -0.13 -0.54 0.00 0.00 174.62 173.73 2pwe s ARG 496 N -2.61 1.47 0.02 3.99 1.81 -0.67 -1.71 118.95 121.25 2pwe s ARG 496 Ca 0.21 -0.45 0.00 0.00 -1.72 0.00 0.00 55.73 53.77 2pwe s ARG 496 Cb -0.09 -1.28 -0.02 0.00 -0.45 0.00 0.00 34.95 33.11 2pwe s ARG 496 CO 0.11 0.14 -0.04 -1.12 -0.68 0.00 0.00 175.30 173.72 2pwe s SER 497 N 0.25 0.34 -0.29 0.23 0.01 -0.99 -0.92 113.70 112.33 2pwe s SER 497 Ca -0.06 -0.46 -0.15 0.00 1.31 0.00 0.00 55.95 56.59 2pwe s SER 497 Cb -0.12 0.08 0.13 0.00 0.21 0.00 0.00 66.02 66.32 2pwe s SER 497 CO 0.02 -0.25 0.88 -1.58 0.41 0.00 0.00 173.24 172.72 2pwe s GLN 498 N -1.33 0.47 -1.31 12.44 0.74 -0.40 -0.21 119.66 130.06 2pwe s GLN 498 Ca -0.13 0.88 -0.01 0.00 0.05 0.00 0.00 55.36 56.14 2pwe s GLN 498 Cb -0.09 0.19 -0.00 0.00 1.10 0.00 0.00 33.01 34.21 2pwe s GLN 498 CO -0.01 -0.11 0.64 -0.25 -0.55 0.00 0.00 175.29 175.01 2pwe n ASP 499 N 4.13 -1.30 0.00 6.67 8.00 -1.26 -1.24 116.55 131.56 2pwe n ASP 499 Ca -0.17 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.45 2pwe n ASP 499 Cb 0.57 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.89 2pwe n ASP 499 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pwe n GLY 500 N -1.68 0.46 3.72 0.44 0.00 -1.26 -4.98 105.19 101.89 2pwe n GLY 500 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 2pwe n GLY 500 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pwe s GLU 501 N -0.60 3.92 -0.03 1.61 0.41 -0.37 -5.09 118.70 118.55 2pwe s GLU 501 Ca 0.00 -0.25 0.03 0.00 -0.41 0.00 0.00 54.97 54.34 2pwe s GLU 501 Cb 0.00 -3.28 -0.00 0.00 -1.78 0.00 0.00 34.13 29.07 2pwe s GLU 501 CO 0.00 0.40 -0.13 0.99 -0.49 0.00 0.00 175.26 176.03 2pwe s THR 502 N 0.04 1.09 0.07 3.63 2.01 -1.26 -1.28 115.64 119.95 2pwe s THR 502 Ca 0.08 -0.53 0.09 0.00 0.31 0.00 0.00 61.69 61.64 2pwe s THR 502 Cb -0.12 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 2pwe s THR 502 CO -0.00 0.33 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.71 2pwe s TYR 503 N 0.11 2.08 -0.11 4.92 1.51 -0.10 -1.92 117.35 123.83 2pwe s TYR 503 Ca -0.03 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.64 2pwe s TYR 503 Cb -0.10 -1.20 -0.02 0.00 -0.11 0.00 0.00 41.96 40.54 2pwe s TYR 503 CO 0.01 0.18 -0.14 -1.17 -1.11 0.00 0.00 175.55 173.32 2pwe s LEU 504 N -1.52 2.66 -0.12 -1.29 2.96 0.39 -1.67 118.68 120.08 2pwe s LEU 504 Ca 0.10 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 2pwe s LEU 504 Cb -0.10 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 2pwe s LEU 504 CO 0.03 0.20 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.39 2pwe s VAL 505 N 0.14 2.57 -0.07 1.68 1.01 0.44 -0.25 120.40 125.93 2pwe s VAL 505 Ca -0.07 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 2pwe s VAL 505 Cb -0.15 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.21 2pwe s VAL 505 CO 0.05 0.54 -0.02 -0.69 0.00 0.00 0.00 175.10 174.98 2pwe s VAL 506 N 0.43 0.51 -0.16 2.92 1.01 -0.59 -1.49 120.40 123.03 2pwe s VAL 506 Ca -0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 2pwe s VAL 506 Cb -0.17 -0.61 0.04 0.00 0.00 0.00 0.00 36.38 35.65 2pwe s VAL 506 CO 0.06 0.26 -0.03 -0.69 0.00 0.00 0.00 175.10 174.70 2pwe s VAL 507 N 1.61 0.94 -0.21 2.92 1.01 0.04 -0.99 120.40 125.72 2pwe s VAL 507 Ca -0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 2pwe s VAL 507 Cb -0.13 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.10 2pwe s VAL 507 CO -0.04 0.11 1.13 0.21 0.00 0.00 0.00 175.10 176.51 2pwe s ASN 508 N 1.70 7.03 0.00 3.32 2.47 0.79 -1.17 114.94 129.08 2pwe s ASN 508 Ca 0.01 1.48 0.21 0.00 0.42 0.00 0.00 52.86 54.99 2pwe s ASN 508 Cb -0.15 -2.54 0.53 0.00 -1.45 0.00 0.00 41.25 37.64 2pwe s ASN 508 CO -0.07 -0.72 1.45 0.49 -3.72 0.00 0.00 177.10 174.53 2pwe n PHE 509 N 6.47 0.60 -4.15 0.43 3.01 -0.36 -3.54 117.46 119.92 2pwe n PHE 509 Ca 0.13 -0.30 -0.33 0.00 1.01 0.00 0.00 57.45 57.96 2pwe n PHE 509 Cb 0.46 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.85 2pwe n PHE 509 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2pwe s LYS 510 N -1.40 3.02 -0.16 -1.08 -0.14 -1.25 -4.92 119.74 113.80 2pwe s LYS 510 Ca 0.39 -0.49 -0.01 0.00 -1.36 0.00 0.00 55.97 54.50 2pwe s LYS 510 Cb 0.22 -2.83 0.07 0.00 -1.68 0.00 0.00 37.83 33.61 2pwe s LYS 510 CO 0.30 0.65 2.19 0.00 -0.76 0.00 0.00 175.35 177.73 2pwe n ALA 511 N 1.35 4.80 -2.93 5.17 0.00 -1.26 -1.89 120.51 125.76 2pwe n ALA 511 Ca -0.14 -1.02 -0.11 0.00 0.00 0.00 0.00 53.44 52.18 2pwe n ALA 511 Cb 0.53 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 2pwe n ALA 511 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2pwe s GLU 512 N -0.77 0.92 0.40 0.00 2.02 -1.26 -4.87 118.70 115.13 2pwe s GLU 512 Ca 0.22 -0.65 -0.26 0.00 0.02 0.00 0.00 54.97 54.29 2pwe s GLU 512 Cb 0.15 0.40 -0.09 0.00 0.10 0.00 0.00 34.13 34.69 2pwe s GLU 512 CO -0.02 -0.32 1.29 -2.14 0.02 0.00 0.00 175.26 174.09 2pwe s PRO 513 N -3.25 4.02 0.15 0.39 0.02 -1.26 -4.00 135.00 131.07 2pwe s PRO 513 Ca -0.00 2.13 -0.04 0.00 0.02 0.00 0.00 61.00 63.11 2pwe s PRO 513 Cb 0.01 -2.79 -0.03 0.00 0.02 0.00 0.00 34.50 31.71 2pwe s PRO 513 CO -0.08 -0.44 0.14 1.03 -0.33 0.00 0.00 177.00 177.33 2pwe s ARG 514 N -2.19 1.05 0.22 5.54 1.81 -0.44 -4.98 118.95 119.95 2pwe s ARG 514 Ca 0.56 -1.39 0.11 0.00 -1.72 0.00 0.00 55.73 53.30 2pwe s ARG 514 Cb -0.37 0.29 -0.05 0.00 -0.45 0.00 0.00 34.95 34.37 2pwe s ARG 514 CO 0.48 -0.33 -0.22 -1.12 -0.68 0.00 0.00 175.30 173.42 2pwe s SER 515 N -3.04 3.43 -0.04 0.23 0.01 -1.26 -0.40 113.70 112.64 2pwe s SER 515 Ca 0.24 -0.92 -0.02 0.00 1.31 0.00 0.00 55.95 56.57 2pwe s SER 515 Cb 0.06 -0.26 0.03 0.00 0.21 0.00 0.00 66.02 66.06 2pwe s SER 515 CO 0.03 0.09 0.05 0.12 0.41 0.00 0.00 173.24 173.93 2pwe s PHE 516 N -1.95 0.13 -0.24 2.43 5.36 0.16 -4.96 117.98 118.91 2pwe s PHE 516 Ca 0.23 0.19 -0.11 0.00 -0.96 0.00 0.00 56.93 56.28 2pwe s PHE 516 Cb -0.07 -0.48 -0.05 0.00 -0.34 0.00 0.00 43.02 42.08 2pwe s PHE 516 CO 0.11 -0.19 0.19 0.99 -1.46 0.00 0.00 175.22 174.86 2pwe s THR 517 N 1.97 5.34 0.67 0.12 2.01 -1.26 0.53 115.64 125.01 2pwe s THR 517 Ca 0.03 0.25 -0.15 0.00 0.31 0.00 0.00 61.69 62.13 2pwe s THR 517 Cb -0.12 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 68.86 2pwe s THR 517 CO -0.03 0.33 1.12 -0.76 -0.69 0.00 0.00 174.62 174.58 2pwe s LEU 518 N 1.13 3.36 0.29 4.42 1.43 -0.53 -4.93 118.68 123.84 2pwe s LEU 518 Ca 0.09 2.02 -0.28 0.00 -1.03 0.00 0.00 54.13 54.93 2pwe s LEU 518 Cb -0.14 -4.55 -0.14 0.00 0.03 0.00 0.00 46.19 41.39 2pwe s LEU 518 CO 0.05 -1.72 1.03 -2.65 0.23 0.00 0.00 176.35 173.30 2pwe n PRO 519 N -2.51 1.39 -1.85 1.29 -0.02 -1.26 -4.81 135.00 127.24 2pwe n PRO 519 Ca 0.11 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 2pwe n PRO 519 Cb 0.52 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 2pwe n PRO 519 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2pwe s ASP 520 N -0.52 6.49 0.00 2.55 -4.77 -1.26 -1.14 116.67 118.01 2pwe s ASP 520 Ca 0.59 2.77 0.00 0.00 -3.30 0.00 0.00 52.55 52.61 2pwe s ASP 520 Cb -0.70 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 38.52 2pwe s ASP 520 CO 0.60 -0.87 0.00 0.61 0.70 0.00 0.00 175.17 176.20 2pwe n GLY 521 N 3.28 1.54 3.80 2.12 0.00 -1.26 -5.07 105.19 109.60 2pwe n GLY 521 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2pwe n GLY 521 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2pwe s MET 522 N -0.73 3.28 0.02 1.61 0.00 -0.30 -4.96 119.30 118.22 2pwe s MET 522 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 55.69 55.45 2pwe s MET 522 Cb 0.00 -3.04 -0.02 0.00 0.00 0.00 0.00 34.83 31.78 2pwe s MET 522 CO 0.00 0.74 -0.02 -1.01 0.00 0.00 0.00 175.02 174.73 2pwe s HIS 523 N -0.93 0.20 0.36 4.11 3.76 0.11 -4.71 115.29 118.19 2pwe s HIS 523 Ca 0.14 -0.41 -0.28 0.00 -0.15 0.00 0.00 55.06 54.37 2pwe s HIS 523 Cb -0.12 -0.15 -0.10 0.00 1.11 0.00 0.00 32.58 33.33 2pwe s HIS 523 CO 0.03 -0.15 1.30 0.42 -0.85 0.00 0.00 174.74 175.49 2pwe s ILE 524 N -1.15 2.68 -0.10 0.60 -1.09 -0.37 -0.70 121.20 121.06 2pwe s ILE 524 Ca -0.13 0.65 -0.00 0.00 -2.23 0.00 0.00 60.65 58.94 2pwe s ILE 524 Cb -0.08 -3.40 -0.06 0.00 -1.58 0.00 0.00 42.46 37.34 2pwe s ILE 524 CO -0.01 0.13 -0.09 0.00 -1.23 0.00 0.00 174.94 173.74 2pwe n ALA 525 N 0.51 1.86 -3.07 9.38 0.00 0.57 -0.49 120.51 129.27 2pwe n ALA 525 Ca 0.02 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 2pwe n ALA 525 Cb 0.43 0.29 -0.04 0.00 0.00 0.00 0.00 19.45 20.12 2pwe n ALA 525 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2pwe s GLU 526 N -2.20 1.13 -0.23 0.00 -1.05 -0.86 -4.80 118.70 110.70 2pwe s GLU 526 Ca -0.13 -0.73 -0.03 0.00 -0.15 0.00 0.00 54.97 53.93 2pwe s GLU 526 Cb 0.04 0.48 0.01 0.00 -0.44 0.00 0.00 34.13 34.22 2pwe s GLU 526 CO 0.22 -0.45 -0.06 0.99 0.95 0.00 0.00 175.26 176.90 2pwe s THR 527 N -3.82 3.07 -0.04 1.83 2.01 -1.26 -2.07 115.64 115.36 2pwe s THR 527 Ca 0.04 -0.73 -0.15 0.00 0.31 0.00 0.00 61.69 61.16 2pwe s THR 527 Cb 0.01 -2.44 -0.32 0.00 0.01 0.00 0.00 72.50 69.76 2pwe s THR 527 CO -0.10 0.35 0.78 -0.07 -0.69 0.00 0.00 174.62 174.89 2pwe h LEU 528 N 8.07 0.62 -7.00 4.42 4.07 -1.38 -3.49 115.31 120.62 2pwe h LEU 528 Ca -0.39 -0.92 0.13 0.00 0.08 0.00 0.00 57.88 56.78 2pwe h LEU 528 Cb 1.14 -0.20 -0.22 0.00 1.08 0.00 0.00 40.66 42.46 2pwe h LEU 528 CO 0.60 1.68 0.63 -0.51 -1.08 0.00 0.00 178.44 179.75 2pwe s ILE 529 N -2.54 0.00 0.03 1.22 2.07 -1.12 -4.98 121.20 115.87 2pwe s ILE 529 Ca -0.14 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.03 2pwe s ILE 529 Cb 0.04 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.63 2pwe s ILE 529 CO 0.86 0.00 0.13 -1.61 -1.91 0.00 0.00 174.94 172.41 2pwe s GLU 530 N -1.57 0.58 0.07 3.50 2.02 -1.26 -0.46 118.70 121.58 2pwe s GLU 530 Ca 0.02 -0.63 0.09 0.00 0.02 0.00 0.00 54.97 54.47 2pwe s GLU 530 Cb -0.01 0.23 -0.03 0.00 0.10 0.00 0.00 34.13 34.43 2pwe s GLU 530 CO -0.02 -0.15 -0.24 -1.54 0.02 0.00 0.00 175.26 173.33 2pwe s SER 531 N -1.91 2.90 -1.35 -0.19 1.04 0.48 -4.73 113.70 109.93 2pwe s SER 531 Ca -0.08 -0.61 -0.02 0.00 0.48 0.00 0.00 55.95 55.72 2pwe s SER 531 Cb -0.03 -0.23 0.01 0.00 0.10 0.00 0.00 66.02 65.87 2pwe s SER 531 CO -0.03 0.19 0.13 -1.20 0.98 0.00 0.00 173.24 173.31 2pwe n SER 532 N 1.53 -4.73 -4.53 7.02 7.64 -1.26 -2.61 113.62 116.69 2pwe n SER 532 Ca -0.18 0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.38 2pwe n SER 532 Cb 0.53 -3.95 -0.12 0.00 -1.01 0.00 0.00 64.21 59.65 2pwe n SER 532 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2pwe s SER 533 N -2.20 4.37 0.28 6.43 0.15 -1.26 -4.68 113.70 116.79 2pwe s SER 533 Ca 0.08 -0.11 0.20 0.00 0.70 0.00 0.00 55.95 56.82 2pwe s SER 533 Cb -0.04 -1.08 0.11 0.00 -1.71 0.00 0.00 66.02 63.30 2pwe s SER 533 CO 0.10 0.34 1.31 1.55 1.20 0.00 0.00 173.24 177.74 2pwe h PRO 534 N 5.40 0.00 -1.67 5.44 0.13 -1.98 -3.47 132.00 135.85 2pwe h PRO 534 Ca -0.46 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 2pwe h PRO 534 Cb 1.17 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.04 2pwe h PRO 534 CO 0.52 0.18 0.39 0.00 -0.23 0.00 0.00 178.00 178.86 2pwe s ALA 535 N -3.13 -1.95 0.74 -0.56 0.00 -1.26 -5.17 121.76 110.43 2pwe s ALA 535 Ca 0.03 1.93 -0.11 0.00 0.00 0.00 0.00 51.96 53.81 2pwe s ALA 535 Cb 0.07 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.82 2pwe s ALA 535 CO 0.74 -0.26 1.08 0.00 0.00 0.00 0.00 175.76 177.32 2pwe s ALA 536 N 0.33 2.43 0.84 0.00 0.00 -1.26 -5.01 121.76 119.09 2pwe s ALA 536 Ca 0.02 0.21 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 2pwe s ALA 536 Cb -0.05 -3.24 0.10 0.00 0.00 0.00 0.00 23.12 19.93 2pwe s ALA 536 CO -0.06 -1.54 1.09 -1.25 0.00 0.00 0.00 175.76 174.01 2pwe s PRO 537 N -4.93 1.72 0.30 0.00 0.04 -1.26 -5.01 135.00 125.86 2pwe s PRO 537 Ca 0.60 0.78 -0.28 0.00 0.04 0.00 0.00 61.00 62.14 2pwe s PRO 537 Cb -0.16 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 2pwe s PRO 537 CO 0.55 -1.91 0.99 0.00 0.04 0.00 0.00 177.00 176.67 2pwe s ALA 538 N -3.02 3.26 0.17 8.56 0.00 -1.26 -4.94 121.76 124.53 2pwe s ALA 538 Ca 0.62 0.64 -0.33 0.00 0.00 0.00 0.00 51.96 52.90 2pwe s ALA 538 Cb -0.16 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.60 2pwe s ALA 538 CO 0.56 0.07 1.70 0.00 0.00 0.00 0.00 175.76 178.09 2pwe n ALA 539 N 0.85 2.19 -0.15 0.00 0.00 -1.26 -0.40 120.51 121.74 2pwe n ALA 539 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2pwe n ALA 539 Cb 0.48 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.45 2pwe n ALA 539 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwe n GLY 540 N 3.84 0.57 3.71 0.00 0.00 0.36 -4.99 105.19 108.69 2pwe n GLY 540 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2pwe n GLY 540 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwe n ALA 541 N -1.53 1.55 0.67 4.61 0.00 0.47 -4.54 120.51 121.74 2pwe n ALA 541 Ca 0.00 0.36 0.08 0.00 0.00 0.00 0.00 53.44 53.88 2pwe n ALA 541 Cb 0.00 -2.30 0.04 0.00 0.00 0.00 0.00 19.45 17.19 2pwe n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pwe n ALA 542 N 0.62 2.76 -3.34 0.00 0.00 -1.26 -1.24 120.51 118.05 2pwe n ALA 542 Ca 0.05 -0.58 -0.09 0.00 0.00 0.00 0.00 53.44 52.82 2pwe n ALA 542 Cb 0.36 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 2pwe n ALA 542 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2pwe s SER 543 N -1.55 -0.24 -0.00 0.00 1.04 -1.26 -1.46 113.70 110.23 2pwe s SER 543 Ca 0.16 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 56.07 2pwe s SER 543 Cb 0.13 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.83 2pwe s SER 543 CO 0.28 -1.09 -0.10 -0.76 0.98 0.00 0.00 173.24 172.55 2pwe s LEU 544 N -2.90 2.05 -0.19 2.42 1.43 0.19 -4.94 118.68 116.74 2pwe s LEU 544 Ca 0.11 -0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 52.89 2pwe s LEU 544 Cb -0.01 -0.49 -0.05 0.00 0.03 0.00 0.00 46.19 45.66 2pwe s LEU 544 CO -0.00 0.09 0.15 -1.61 0.23 0.00 0.00 176.35 175.22 2pwe s GLU 545 N -0.39 4.14 -0.07 1.70 0.41 -1.26 -0.67 118.70 122.56 2pwe s GLU 545 Ca 0.03 -0.17 0.05 0.00 -0.41 0.00 0.00 54.97 54.47 2pwe s GLU 545 Cb -0.04 -3.40 -0.01 0.00 -1.78 0.00 0.00 34.13 28.90 2pwe s GLU 545 CO -0.00 0.33 -0.24 -0.51 -0.49 0.00 0.00 175.26 174.35 2pwe s LEU 546 N 0.25 2.06 0.67 1.80 1.43 0.47 -4.99 118.68 120.37 2pwe s LEU 546 Ca 0.10 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 2pwe s LEU 546 Cb -0.11 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 2pwe s LEU 546 CO -0.01 0.20 1.06 -1.10 0.23 0.00 0.00 176.35 176.74 2pwe s GLN 547 N 0.07 3.20 0.15 1.70 -1.52 -1.26 -1.33 119.66 120.67 2pwe s GLN 547 Ca -0.10 0.66 -0.34 0.00 -1.95 0.00 0.00 55.36 53.63 2pwe s GLN 547 Cb -0.15 -2.04 -0.15 0.00 -0.22 0.00 0.00 33.01 30.44 2pwe s GLN 547 CO 0.06 -0.83 1.39 -2.30 -0.25 0.00 0.00 175.29 173.36 2pwe n PRO 548 N -2.91 1.61 -1.57 2.91 -0.02 -1.26 -1.59 135.00 132.17 2pwe n PRO 548 Ca 0.07 0.58 -0.18 0.00 -2.02 0.00 0.00 63.50 61.95 2pwe n PRO 548 Cb 0.55 -2.24 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 2pwe n PRO 548 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2pwe n TRP 549 N 2.51 -0.23 -2.29 6.00 7.02 -0.79 -4.91 117.44 124.74 2pwe n TRP 549 Ca 0.16 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.25 2pwe n TRP 549 Cb 0.25 -3.12 -0.03 0.00 -2.42 0.00 0.00 31.31 25.99 2pwe n TRP 549 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 2pwe s GLN 550 N -3.59 4.33 0.08 -0.99 0.74 -0.62 -4.54 119.66 115.06 2pwe s GLN 550 Ca 0.00 1.95 0.04 0.00 0.05 0.00 0.00 55.36 57.40 2pwe s GLN 550 Cb 0.00 -2.96 -0.03 0.00 1.10 0.00 0.00 33.01 31.12 2pwe s GLN 550 CO 0.00 -0.11 -0.11 -1.54 -0.55 0.00 0.00 175.29 172.98 2pwe s SER 551 N -0.85 1.42 -0.07 6.67 1.04 -1.07 -0.15 113.70 120.68 2pwe s SER 551 Ca 0.51 -0.70 -0.30 0.00 0.48 0.00 0.00 55.95 55.93 2pwe s SER 551 Cb -0.34 -0.01 0.07 0.00 0.10 0.00 0.00 66.02 65.84 2pwe s SER 551 CO 0.44 -0.19 0.69 -0.83 0.98 0.00 0.00 173.24 174.33 2pwe s GLY 552 N -2.05 -0.57 -0.12 7.32 0.00 -0.16 -0.39 107.32 111.36 2pwe s GLY 552 Ca 0.00 1.41 0.03 0.00 0.00 0.00 0.00 44.72 46.16 2pwe s GLY 552 CO 0.01 1.04 -0.21 -0.42 0.00 0.00 0.00 173.10 173.52 2pwe s ILE 553 N -1.02 1.92 0.06 0.90 1.01 0.39 -1.55 121.20 122.91 2pwe s ILE 553 Ca -0.10 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.67 2pwe s ILE 553 Cb -0.01 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 2pwe s ILE 553 CO 0.09 0.53 -0.11 -0.31 0.00 0.00 0.00 174.94 175.14 2pwe s TYR 554 N 0.64 0.92 -0.16 3.97 1.51 0.65 -0.87 117.35 124.00 2pwe s TYR 554 Ca -0.12 -0.50 -0.13 0.00 -1.01 0.00 0.00 57.07 55.31 2pwe s TYR 554 Cb -0.16 -0.53 -0.05 0.00 -0.11 0.00 0.00 41.96 41.11 2pwe s TYR 554 CO 0.03 -0.02 0.26 0.21 -1.11 0.00 0.00 175.55 174.92 2pwe s LYS 555 N -1.73 4.23 0.48 -0.62 2.20 -0.88 0.15 119.74 123.57 2pwe s LYS 555 Ca -0.06 0.04 0.06 0.00 -0.36 0.00 0.00 55.97 55.65 2pwe s LYS 555 Cb -0.09 -3.42 -0.00 0.00 -1.51 0.00 0.00 37.83 32.80 2pwe s LYS 555 CO 0.01 0.26 0.29 0.14 -0.36 0.00 0.00 175.35 175.70 2pwe s VAL 556 N 0.41 1.95 0.00 4.02 -7.23 -0.81 -0.31 120.40 118.42 2pwe s VAL 556 Ca 0.15 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2pwe s VAL 556 Cb -0.13 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.29 2pwe s VAL 556 CO 0.03 0.00 0.00 2.29 -0.31 0.00 0.00 175.10 177.11