#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwg s GLY 3 N 0.00 2.48 0.29 0.55 0.00 -1.26 -5.05 107.32 104.33 2pwg s GLY 3 Ca 0.00 0.66 -0.13 0.00 0.00 0.00 0.00 44.72 45.24 2pwg s GLY 3 CO 0.00 0.99 0.67 0.00 0.00 0.00 0.00 173.10 174.77 2pwg s ALA 4 N -1.99 3.40 0.72 3.20 0.00 -1.26 -5.04 121.76 120.78 2pwg s ALA 4 Ca 0.69 -0.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.43 2pwg s ALA 4 Cb -0.19 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2pwg s ALA 4 CO 0.26 0.39 0.95 -2.30 0.00 0.00 0.00 175.76 175.06 2pwg n PRO 5 N -0.29 0.52 -0.32 0.00 -0.02 -1.26 -4.89 135.00 128.74 2pwg n PRO 5 Ca 0.02 0.23 0.09 0.00 -2.02 0.00 0.00 63.50 61.82 2pwg n PRO 5 Cb 0.53 -2.20 0.29 0.00 -0.02 0.00 0.00 33.50 32.10 2pwg n PRO 5 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2pwg h TRP 6 N -0.22 1.01 0.00 6.00 5.08 -1.99 -1.73 115.95 124.10 2pwg h TRP 6 Ca -0.47 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 59.52 2pwg h TRP 6 Cb 1.34 -0.32 -0.00 0.00 -3.00 0.00 0.00 29.16 27.17 2pwg h TRP 6 CO 0.40 0.41 -0.01 0.11 -1.28 0.00 0.00 178.44 178.06 2pwg h TRP 7 N 0.88 0.00 0.00 0.12 5.08 -1.95 -1.90 115.95 118.18 2pwg h TRP 7 Ca 0.47 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 60.35 2pwg h TRP 7 Cb 0.54 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.69 2pwg h TRP 7 CO -0.00 0.01 -0.43 0.87 -1.28 0.00 0.00 178.44 177.61 2pwg h LYS 8 N 0.00 0.00 -0.36 0.12 1.57 -1.65 -3.23 116.57 113.02 2pwg h LYS 8 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pwg h LYS 8 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2pwg h LYS 8 CO 0.00 0.43 0.00 -1.13 -0.57 0.00 0.00 179.45 178.18 2pwg n SER 9 N -3.31 3.08 -4.88 0.86 3.41 -0.88 -4.59 113.62 107.31 2pwg n SER 9 Ca 0.01 -2.10 -0.30 0.00 -0.26 0.00 0.00 58.87 56.22 2pwg n SER 9 Cb 0.64 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.28 2pwg n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pwg s ALA 10 N -1.18 3.44 -0.24 7.33 0.00 -0.77 -4.93 121.76 125.41 2pwg s ALA 10 Ca 0.26 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 2pwg s ALA 10 Cb 0.15 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.69 2pwg s ALA 10 CO 0.16 0.17 -0.01 0.08 0.00 0.00 0.00 175.76 176.15 2pwg s VAL 11 N -2.17 3.46 0.32 0.00 1.01 -1.26 -4.14 120.40 117.61 2pwg s VAL 11 Ca 0.49 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.88 2pwg s VAL 11 Cb -0.10 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 2pwg s VAL 11 CO 0.28 0.30 0.48 -0.36 0.00 0.00 0.00 175.10 175.79 2pwg s PHE 12 N 1.46 3.38 -0.04 5.22 0.40 -0.02 -1.57 117.98 126.80 2pwg s PHE 12 Ca 0.04 0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.46 2pwg s PHE 12 Cb -0.15 -1.84 0.03 0.00 0.51 0.00 0.00 43.02 41.56 2pwg s PHE 12 CO -0.02 0.16 -0.01 -0.47 0.70 0.00 0.00 175.22 175.58 2pwg s TYR 13 N -2.19 0.52 -0.23 0.36 6.14 -0.40 -1.75 117.35 119.81 2pwg s TYR 13 Ca 0.40 -0.09 -0.17 0.00 0.64 0.00 0.00 57.07 57.85 2pwg s TYR 13 Cb -0.09 -0.59 -0.03 0.00 0.42 0.00 0.00 41.96 41.67 2pwg s TYR 13 CO 0.33 -0.20 0.45 -1.14 0.64 0.00 0.00 175.55 175.63 2pwg s GLN 14 N 1.27 4.12 -0.20 4.97 0.74 0.42 -1.47 119.66 129.51 2pwg s GLN 14 Ca -0.06 0.26 -0.04 0.00 0.05 0.00 0.00 55.36 55.57 2pwg s GLN 14 Cb -0.13 -3.59 -0.02 0.00 1.10 0.00 0.00 33.01 30.36 2pwg s GLN 14 CO -0.02 -0.19 -0.03 0.08 -0.55 0.00 0.00 175.29 174.58 2pwg s VAL 15 N 1.79 3.71 -0.69 1.34 1.01 0.03 -1.66 120.40 125.92 2pwg s VAL 15 Ca 0.20 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 2pwg s VAL 15 Cb -0.15 -2.67 0.18 0.00 0.00 0.00 0.00 36.38 33.74 2pwg s VAL 15 CO 0.09 0.44 0.63 -0.47 0.00 0.00 0.00 175.10 175.79 2pwg s TYR 16 N 1.02 3.54 0.30 5.22 5.04 -1.26 -2.24 117.35 128.98 2pwg s TYR 16 Ca 0.01 -1.79 0.06 0.00 -2.44 0.00 0.00 57.07 52.92 2pwg s TYR 16 Cb -0.14 -3.76 0.81 0.00 0.35 0.00 0.00 41.96 39.22 2pwg s TYR 16 CO 0.01 -0.99 1.70 -1.35 -1.34 0.00 0.00 175.55 173.57 2pwg h PRO 17 N 8.16 0.41 -1.00 4.97 0.11 -1.93 -1.11 132.00 141.61 2pwg h PRO 17 Ca -0.06 -0.02 0.21 0.00 0.11 0.00 0.00 66.00 66.24 2pwg h PRO 17 Cb 1.06 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 31.97 2pwg h PRO 17 CO 0.86 0.27 0.62 -0.09 -0.21 0.00 0.00 178.00 179.45 2pwg h ARG 18 N 0.43 0.61 -0.15 1.05 2.43 -1.93 -2.59 114.38 114.23 2pwg h ARG 18 Ca 0.60 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.68 2pwg h ARG 18 Cb 1.17 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 2pwg h ARG 18 CO -0.53 0.41 -0.19 0.43 -1.51 0.00 0.00 179.97 178.58 2pwg n SER 19 N -4.74 2.39 -0.08 -3.80 7.64 -0.44 0.41 113.62 115.00 2pwg n SER 19 Ca 0.24 -3.57 -0.07 0.00 1.01 0.00 0.00 58.87 56.48 2pwg n SER 19 Cb 0.67 -0.54 -0.02 0.00 -1.01 0.00 0.00 64.21 63.30 2pwg n SER 19 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2pwg n PHE 20 N -1.11 0.30 -3.55 1.43 7.35 -0.98 -1.42 117.46 119.48 2pwg n PHE 20 Ca 0.23 0.13 -0.03 0.00 -0.76 0.00 0.00 57.45 57.03 2pwg n PHE 20 Cb 0.82 -0.57 -0.05 0.00 0.35 0.00 0.00 39.48 40.03 2pwg n PHE 20 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2pwg s LYS 21 N -2.59 0.49 -0.03 -4.13 2.47 -1.26 -4.44 119.74 110.25 2pwg s LYS 21 Ca -0.23 1.21 -0.16 0.00 -1.56 0.00 0.00 55.97 55.23 2pwg s LYS 21 Cb 0.03 0.58 -0.05 0.00 -1.46 0.00 0.00 37.83 36.93 2pwg s LYS 21 CO 0.34 -0.31 0.45 0.34 0.16 0.00 0.00 175.35 176.32 2pwg s ASP 22 N 2.79 6.79 0.00 1.43 2.15 -0.36 -1.22 116.67 128.26 2pwg s ASP 22 Ca 0.01 0.94 0.00 0.00 0.43 0.00 0.00 52.55 53.93 2pwg s ASP 22 Cb -0.13 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 2pwg s ASP 22 CO -0.17 0.21 0.45 0.35 -0.17 0.00 0.00 175.17 175.84 2pwg n THR 23 N 2.45 0.01 -0.46 1.71 -2.24 -1.26 -4.57 114.28 109.92 2pwg n THR 23 Ca -0.11 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2pwg n THR 23 Cb 0.52 1.10 0.01 0.00 -2.10 0.00 0.00 70.33 69.85 2pwg n THR 23 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2pwg n ASN 24 N -0.00 1.25 0.00 3.42 6.94 -1.26 -5.03 115.26 120.57 2pwg n ASN 24 Ca 0.00 -1.69 0.00 0.00 -0.02 0.00 0.00 54.58 52.87 2pwg n ASN 24 Cb 0.03 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2pwg n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2pwg n GLY 25 N -0.35 0.35 0.28 4.83 0.00 -1.26 -4.87 105.19 104.16 2pwg n GLY 25 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2pwg n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pwg n ASP 26 N -0.31 0.85 0.00 1.61 5.75 -1.26 -4.07 116.55 119.12 2pwg n ASP 26 Ca 0.00 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 2pwg n ASP 26 Cb 0.15 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 2pwg n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pwg n GLY 27 N 1.07 0.83 3.42 6.12 0.00 -1.26 -4.79 105.19 110.57 2pwg n GLY 27 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 2pwg n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pwg s ILE 28 N -3.27 2.70 0.72 -0.61 1.01 -1.26 -1.80 121.20 118.68 2pwg s ILE 28 Ca 0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.60 2pwg s ILE 28 Cb 0.00 -2.03 0.03 0.00 0.01 0.00 0.00 42.46 40.47 2pwg s ILE 28 CO 0.00 0.55 1.13 -0.83 0.00 0.00 0.00 174.94 175.79 2pwg s GLY 29 N -0.80 2.06 0.32 6.18 0.00 0.17 -4.25 107.32 111.00 2pwg s GLY 29 Ca 0.11 0.56 -0.04 0.00 0.00 0.00 0.00 44.72 45.36 2pwg s GLY 29 CO 0.01 0.93 0.46 0.51 0.00 0.00 0.00 173.10 175.00 2pwg s ASP 30 N -2.64 0.71 0.17 1.64 1.47 -0.35 -4.40 116.67 113.27 2pwg s ASP 30 Ca 0.67 -1.39 -0.14 0.00 1.18 0.00 0.00 52.55 52.87 2pwg s ASP 30 Cb -0.22 0.64 0.09 0.00 -0.34 0.00 0.00 42.92 43.09 2pwg s ASP 30 CO 0.46 -1.25 1.79 -0.26 0.68 0.00 0.00 175.17 176.60 2pwg h PHE 31 N 2.16 0.46 -0.98 2.11 0.04 -1.27 -2.16 116.94 117.31 2pwg h PHE 31 Ca -0.28 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.56 2pwg h PHE 31 Cb 1.24 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 39.19 2pwg h PHE 31 CO 1.25 0.25 0.64 0.87 -0.60 0.00 0.00 178.31 180.72 2pwg h LYS 32 N 0.50 1.15 -0.48 1.51 1.57 -1.90 0.12 116.57 119.03 2pwg h LYS 32 Ca 0.19 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2pwg h LYS 32 Cb 0.07 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2pwg h LYS 32 CO -0.12 0.76 0.18 0.78 -0.57 0.00 0.00 179.45 180.48 2pwg h GLY 33 N 1.18 0.79 0.81 3.86 0.00 -1.56 0.13 103.07 108.28 2pwg h GLY 33 Ca 0.41 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2pwg h GLY 33 CO -0.15 0.42 -0.02 -2.00 0.00 0.00 0.00 176.54 174.78 2pwg h LEU 34 N 0.64 -0.06 -0.89 3.11 5.85 -0.71 -2.57 115.31 120.69 2pwg h LEU 34 Ca 0.16 -0.18 0.13 0.00 0.84 0.00 0.00 57.88 58.84 2pwg h LEU 34 Cb 0.22 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 2pwg h LEU 34 CO -0.01 0.14 0.50 0.74 -0.34 0.00 0.00 178.44 179.48 2pwg h THR 35 N -0.26 0.81 0.00 1.05 2.02 -0.68 0.13 112.91 115.98 2pwg h THR 35 Ca -0.01 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2pwg h THR 35 Cb 0.23 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 2pwg h THR 35 CO 0.01 0.14 -0.04 -0.33 0.37 0.00 0.00 175.52 175.67 2pwg h GLU 36 N 0.75 0.00 -0.45 6.66 5.08 -0.66 -2.69 114.58 123.27 2pwg h GLU 36 Ca 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2pwg h GLU 36 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2pwg h GLU 36 CO -0.32 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.36 2pwg n LYS 37 N -3.63 3.30 -0.17 2.33 4.76 0.43 -4.55 118.16 120.63 2pwg n LYS 37 Ca -0.03 -2.65 -0.02 0.00 -2.87 0.00 0.00 58.31 52.74 2pwg n LYS 37 Cb 0.14 -1.71 0.19 0.00 -1.84 0.00 0.00 35.03 31.80 2pwg n LYS 37 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2pwg h LEU 38 N 2.85 0.83 -1.62 -0.35 3.38 -1.25 -1.30 115.31 117.86 2pwg h LEU 38 Ca 0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2pwg h LEU 38 Cb 1.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2pwg h LEU 38 CO 0.17 0.76 -0.16 0.44 0.09 0.00 0.00 178.44 179.74 2pwg h ASP 39 N 0.89 0.04 -0.03 -0.43 3.32 -1.83 0.21 116.42 118.59 2pwg h ASP 39 Ca 0.21 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2pwg h ASP 39 Cb 0.20 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 2pwg h ASP 39 CO -0.02 0.21 -0.03 0.22 -1.72 0.00 0.00 179.24 177.90 2pwg h TYR 40 N 0.04 0.09 -0.73 4.55 3.20 -1.58 0.57 116.97 123.11 2pwg h TYR 40 Ca 0.01 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 2pwg h TYR 40 Cb 0.31 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 2pwg h TYR 40 CO 0.00 0.53 0.26 -0.07 -1.64 0.00 0.00 178.16 177.25 2pwg h LEU 41 N -0.38 1.02 -0.23 2.82 3.38 -0.87 -2.35 115.31 118.70 2pwg h LEU 41 Ca 0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2pwg h LEU 41 Cb 0.52 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2pwg h LEU 41 CO 0.01 0.92 0.09 0.50 0.09 0.00 0.00 178.44 180.05 2pwg h LYS 42 N 1.07 0.35 -0.50 1.13 1.63 -0.55 -2.38 116.57 117.32 2pwg h LYS 42 Ca 0.24 -0.06 0.10 0.00 -0.85 0.00 0.00 60.65 60.07 2pwg h LYS 42 Cb 0.24 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 2pwg h LYS 42 CO -0.02 0.40 0.34 0.78 -3.45 0.00 0.00 179.45 177.50 2pwg h GLY 43 N 0.22 0.35 2.00 5.01 0.00 -0.62 0.63 103.07 110.66 2pwg h GLY 43 Ca 0.08 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 2pwg h GLY 43 CO -0.01 0.07 -0.39 -2.00 0.00 0.00 0.00 176.54 174.21 2pwg h LEU 44 N 0.26 0.00 0.00 3.11 5.85 -1.01 -3.47 115.31 120.04 2pwg h LEU 44 Ca 0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2pwg h LEU 44 Cb 0.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2pwg h LEU 44 CO -0.05 0.39 0.00 0.61 -0.34 0.00 0.00 178.44 179.05 2pwg n GLY 45 N 0.08 1.30 3.69 3.75 0.00 0.21 -4.59 105.19 109.64 2pwg n GLY 45 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2pwg n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pwg s ILE 46 N -2.00 3.39 -0.04 -0.61 -1.09 -0.93 -4.84 121.20 115.08 2pwg s ILE 46 Ca 0.00 0.84 -0.02 0.00 -2.23 0.00 0.00 60.65 59.24 2pwg s ILE 46 Cb 0.00 -3.54 -0.27 0.00 -1.58 0.00 0.00 42.46 37.07 2pwg s ILE 46 CO 0.00 0.01 0.70 0.44 -1.23 0.00 0.00 174.94 174.86 2pwg h ASP 47 N 7.84 0.34 -5.07 3.58 3.32 -1.64 -3.43 116.42 121.37 2pwg h ASP 47 Ca -0.40 -0.56 -0.10 0.00 0.02 0.00 0.00 57.03 55.99 2pwg h ASP 47 Cb 1.19 -0.11 -0.17 0.00 0.22 0.00 0.00 39.33 40.46 2pwg h ASP 47 CO 0.91 1.48 -0.31 0.00 -1.72 0.00 0.00 179.24 179.60 2pwg s ALA 48 N -2.60 -0.52 -0.05 3.45 0.00 -1.13 -1.86 121.76 119.05 2pwg s ALA 48 Ca -0.12 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 51.73 2pwg s ALA 48 Cb 0.07 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 2pwg s ALA 48 CO 0.83 -0.41 -0.22 0.42 0.00 0.00 0.00 175.76 176.38 2pwg s ILE 49 N -2.72 1.82 -0.21 0.00 1.01 -0.22 -1.27 121.20 119.60 2pwg s ILE 49 Ca -0.04 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 2pwg s ILE 49 Cb -0.00 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 2pwg s ILE 49 CO -0.05 0.51 0.03 0.86 0.00 0.00 0.00 174.94 176.30 2pwg s TRP 50 N -0.06 3.08 -0.08 3.97 -0.00 -0.54 0.35 118.94 125.67 2pwg s TRP 50 Ca -0.05 -0.37 -0.00 0.00 -0.00 0.00 0.00 56.10 55.69 2pwg s TRP 50 Cb -0.13 -2.13 -0.03 0.00 -0.00 0.00 0.00 33.47 31.18 2pwg s TRP 50 CO 0.03 -0.22 -0.06 0.96 -0.00 0.00 0.00 176.95 177.67 2pwg s ILE 51 N 1.10 3.80 0.98 5.86 -4.36 -0.43 -0.79 121.20 127.36 2pwg s ILE 51 Ca 0.03 -0.43 -0.12 0.00 -0.26 0.00 0.00 60.65 59.87 2pwg s ILE 51 Cb -0.14 -2.57 0.18 0.00 1.25 0.00 0.00 42.46 41.17 2pwg s ILE 51 CO 0.02 0.59 1.08 0.20 0.24 0.00 0.00 174.94 177.07 2pwg s ASN 52 N -0.66 2.74 -0.06 4.36 -0.87 -0.95 -2.94 114.94 116.56 2pwg s ASN 52 Ca 0.10 1.43 -0.31 0.00 -1.57 0.00 0.00 52.86 52.51 2pwg s ASN 52 Cb -0.11 -2.11 -0.15 0.00 -0.02 0.00 0.00 41.25 38.86 2pwg s ASN 52 CO 0.02 -3.09 0.88 -2.65 -2.57 0.00 0.00 177.10 169.69 2pwg n PRO 53 N -4.17 0.00 -0.29 -0.60 -0.02 -1.26 -4.71 135.00 123.95 2pwg n PRO 53 Ca 0.06 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.61 2pwg n PRO 53 Cb 0.56 -1.15 0.10 0.00 -0.02 0.00 0.00 33.50 32.99 2pwg n PRO 53 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2pwg n HIS 54 N 1.46 0.00 -3.35 6.00 1.44 -1.26 -4.77 115.22 114.74 2pwg n HIS 54 Ca 0.17 -0.73 -0.19 0.00 -2.01 0.00 0.00 57.72 54.95 2pwg n HIS 54 Cb 0.04 -0.13 -0.00 0.00 0.12 0.00 0.00 29.99 30.02 2pwg n HIS 54 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2pwg s TYR 55 N -1.97 3.09 0.19 -1.40 1.51 -1.26 -0.37 117.35 117.14 2pwg s TYR 55 Ca 0.23 -0.18 -0.32 0.00 -1.01 0.00 0.00 57.07 55.79 2pwg s TYR 55 Cb 0.21 -2.09 -0.16 0.00 -0.11 0.00 0.00 41.96 39.82 2pwg s TYR 55 CO 0.01 -0.11 1.07 0.00 -1.11 0.00 0.00 175.55 175.40 2pwg n ALA 56 N -1.73 -1.04 -3.64 3.71 0.00 0.28 -3.55 120.51 114.55 2pwg n ALA 56 Ca 0.01 0.45 -0.08 0.00 0.00 0.00 0.00 53.44 53.82 2pwg n ALA 56 Cb 0.58 -1.97 -0.07 0.00 0.00 0.00 0.00 19.45 17.99 2pwg n ALA 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2pwg s SER 57 N -0.20 -0.44 0.33 0.00 0.15 -1.26 -1.19 113.70 111.09 2pwg s SER 57 Ca 0.71 0.83 0.26 0.00 0.70 0.00 0.00 55.95 58.45 2pwg s SER 57 Cb -0.85 0.87 1.10 0.00 -1.71 0.00 0.00 66.02 65.42 2pwg s SER 57 CO 0.54 -0.14 1.78 -0.65 1.20 0.00 0.00 173.24 175.97 2pwg h PRO 58 N 4.28 0.00 -3.22 5.44 0.11 -1.93 -3.47 132.00 133.21 2pwg h PRO 58 Ca -0.28 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.54 2pwg h PRO 58 Cb 1.18 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.33 2pwg h PRO 58 CO 0.12 0.00 -0.42 0.09 -0.21 0.00 0.00 178.00 177.57 2pwg n ASN 59 N -2.43 -4.76 0.17 -2.05 3.02 -1.26 -4.89 115.26 103.07 2pwg n ASN 59 Ca 0.01 -0.19 0.14 0.00 -0.03 0.00 0.00 54.58 54.51 2pwg n ASN 59 Cb 0.23 -3.63 0.52 0.00 -0.61 0.00 0.00 39.78 36.29 2pwg n ASN 59 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2pwg h THR 60 N -0.94 0.00 -0.61 3.41 1.35 -1.91 -3.07 112.91 111.15 2pwg h THR 60 Ca -0.37 -0.38 -0.28 0.00 -0.55 0.00 0.00 66.41 64.83 2pwg h THR 60 Cb 1.26 1.23 -0.39 0.00 -1.73 0.00 0.00 68.15 68.51 2pwg h THR 60 CO 0.40 0.00 -1.13 -0.67 -0.25 0.00 0.00 175.52 173.87 2pwg n ASP 61 N -2.52 1.45 -3.58 5.36 2.03 -1.26 -4.65 116.55 113.39 2pwg n ASP 61 Ca 0.02 -2.25 -0.22 0.00 0.52 0.00 0.00 54.79 52.86 2pwg n ASP 61 Cb 0.29 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 2pwg n ASP 61 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2pwg n ASN 62 N -0.44 -3.47 0.00 1.67 3.02 -1.16 -1.77 115.26 113.11 2pwg n ASN 62 Ca 0.07 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 2pwg n ASN 62 Cb 0.81 -1.19 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 2pwg n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pwg n GLY 63 N -1.44 2.88 0.00 7.41 0.00 -1.26 -4.82 105.19 107.96 2pwg n GLY 63 Ca -0.22 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.86 2pwg n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pwg n TYR 64 N -0.11 0.00 -3.87 1.61 4.01 -0.73 -4.06 117.16 114.02 2pwg n TYR 64 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 2pwg n TYR 64 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.90 2pwg n TYR 64 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 2pwg s ASP 65 N -1.58 4.27 -0.02 7.72 -4.77 -1.26 -4.86 116.67 116.17 2pwg s ASP 65 Ca 0.17 -3.28 -0.25 0.00 -3.30 0.00 0.00 52.55 45.89 2pwg s ASP 65 Cb 0.08 -1.49 -0.04 0.00 -1.09 0.00 0.00 42.92 40.38 2pwg s ASP 65 CO 0.13 -0.18 0.76 -0.63 0.70 0.00 0.00 175.17 175.95 2pwg s ILE 66 N -0.62 4.91 -1.04 2.11 1.01 -1.26 -3.67 121.20 122.64 2pwg s ILE 66 Ca 0.21 1.59 0.18 0.00 0.00 0.00 0.00 60.65 62.63 2pwg s ILE 66 Cb -0.16 -4.10 -0.15 0.00 0.01 0.00 0.00 42.46 38.06 2pwg s ILE 66 CO -0.07 0.28 0.80 -1.54 0.00 0.00 0.00 174.94 174.40 2pwg n SER 67 N 3.45 1.06 -3.21 3.58 3.41 -0.33 -0.23 113.62 121.34 2pwg n SER 67 Ca -0.01 -1.03 0.04 0.00 -0.26 0.00 0.00 58.87 57.61 2pwg n SER 67 Cb 0.51 0.88 -0.02 0.00 -0.26 0.00 0.00 64.21 65.32 2pwg n SER 67 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pwg s ASP 68 N -2.54 -1.13 0.08 4.04 -1.08 -1.25 -4.26 116.67 110.53 2pwg s ASP 68 Ca 0.09 0.82 0.19 0.00 -0.52 0.00 0.00 52.55 53.13 2pwg s ASP 68 Cb 0.14 2.00 0.79 0.00 -1.46 0.00 0.00 42.92 44.38 2pwg s ASP 68 CO 0.67 -0.21 1.59 -1.22 0.52 0.00 0.00 175.17 176.52 2pwg n TYR 69 N 5.42 0.27 -0.54 -5.34 4.01 -1.26 -3.13 117.16 116.59 2pwg n TYR 69 Ca -0.04 0.10 0.07 0.00 -0.16 0.00 0.00 57.90 57.87 2pwg n TYR 69 Cb 0.51 -0.67 0.18 0.00 -0.31 0.00 0.00 39.34 39.06 2pwg n TYR 69 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2pwg n ARG 70 N -1.75 2.83 -4.46 -0.72 1.74 -1.26 -4.96 116.66 108.08 2pwg n ARG 70 Ca 0.04 -2.36 -0.23 0.00 -0.77 0.00 0.00 57.85 54.53 2pwg n ARG 70 Cb 0.22 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.03 2pwg n ARG 70 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2pwg s GLU 71 N -1.83 1.14 0.46 5.56 0.41 -1.19 -5.06 118.70 118.19 2pwg s GLU 71 Ca 0.30 -0.88 -0.21 0.00 -0.41 0.00 0.00 54.97 53.76 2pwg s GLU 71 Cb 0.21 -1.22 -0.09 0.00 -1.78 0.00 0.00 34.13 31.25 2pwg s GLU 71 CO 0.11 0.30 1.03 0.08 -0.49 0.00 0.00 175.26 176.29 2pwg s VAL 72 N -0.88 3.85 0.13 2.63 1.01 -1.26 -0.55 120.40 125.33 2pwg s VAL 72 Ca 0.04 1.20 -0.31 0.00 0.00 0.00 0.00 61.98 62.92 2pwg s VAL 72 Cb -0.09 -3.51 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 2pwg s VAL 72 CO 0.02 -0.20 1.69 -0.32 0.00 0.00 0.00 175.10 176.28 2pwg s MET 73 N -3.08 4.17 0.21 2.72 1.75 0.50 -3.82 119.30 121.76 2pwg s MET 73 Ca 0.65 2.46 -0.14 0.00 -1.25 0.00 0.00 55.69 57.40 2pwg s MET 73 Cb -0.16 -3.38 0.24 0.00 2.84 0.00 0.00 34.83 34.36 2pwg s MET 73 CO 0.20 -0.73 1.62 0.87 -0.65 0.00 0.00 175.02 176.33 2pwg h LYS 74 N 7.71 -0.02 -0.44 4.11 1.57 -1.87 0.55 116.57 128.18 2pwg h LYS 74 Ca -0.44 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.44 2pwg h LYS 74 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 2pwg h LYS 74 CO 0.93 -0.01 0.31 0.93 -0.57 0.00 0.00 179.45 181.04 2pwg h GLU 75 N -0.02 0.15 0.00 3.15 3.07 -1.95 -2.30 114.58 116.69 2pwg h GLU 75 Ca 0.31 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 59.07 2pwg h GLU 75 Cb 0.49 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 2pwg h GLU 75 CO -0.67 0.10 -0.54 1.88 -1.40 0.00 0.00 179.01 178.38 2pwg h TYR 76 N 0.16 0.00 0.00 4.33 0.05 -1.14 -3.43 116.97 116.94 2pwg h TYR 76 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 2pwg h TYR 76 Cb 0.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.35 2pwg h TYR 76 CO -0.00 0.41 0.00 0.41 -1.05 0.00 0.00 178.16 177.93 2pwg n GLY 77 N 1.22 0.40 3.55 3.88 0.00 -0.87 -0.80 105.19 112.57 2pwg n GLY 77 Ca 0.01 -1.23 -0.25 0.00 0.00 0.00 0.00 46.02 44.54 2pwg n GLY 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pwg s THR 78 N -4.00 1.41 0.53 2.61 -4.23 -1.26 -4.45 115.64 106.25 2pwg s THR 78 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 2pwg s THR 78 Cb 0.00 -2.75 0.29 0.00 1.34 0.00 0.00 72.50 71.38 2pwg s THR 78 CO 0.00 0.00 2.14 -0.03 -0.54 0.00 0.00 174.62 176.19 2pwg h MET 79 N 1.88 0.00 -0.35 3.99 4.05 -1.97 -0.53 114.93 122.00 2pwg h MET 79 Ca -0.42 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 58.97 2pwg h MET 79 Cb 1.25 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.04 2pwg h MET 79 CO 0.73 0.00 0.07 1.49 0.23 0.00 0.00 176.91 179.43 2pwg h GLU 80 N 0.00 0.56 -0.54 0.39 4.81 -1.99 0.13 114.58 117.95 2pwg h GLU 80 Ca 0.03 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 2pwg h GLU 80 Cb 0.12 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2pwg h GLU 80 CO -0.00 0.62 0.08 -0.44 -0.73 0.00 0.00 179.01 178.54 2pwg h ASP 81 N 0.41 0.81 0.13 1.04 3.32 -1.52 -0.38 116.42 120.22 2pwg h ASP 81 Ca 0.11 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2pwg h ASP 81 Cb 0.32 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2pwg h ASP 81 CO 0.00 0.83 -0.06 0.15 -1.72 0.00 0.00 179.24 178.44 2pwg h PHE 82 N 0.81 -0.16 -0.99 4.55 3.57 -0.90 0.12 116.94 123.95 2pwg h PHE 82 Ca 0.17 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.76 2pwg h PHE 82 Cb 0.38 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.09 2pwg h PHE 82 CO 0.02 -0.03 0.62 -0.44 -2.23 0.00 0.00 178.31 176.26 2pwg h ASP 83 N -0.26 0.94 -0.37 0.41 3.32 -0.71 -1.17 116.42 118.59 2pwg h ASP 83 Ca -0.02 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2pwg h ASP 83 Cb 0.21 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2pwg h ASP 83 CO 0.03 0.54 0.14 -0.09 -1.72 0.00 0.00 179.24 178.14 2pwg h ARG 84 N 1.04 0.56 -0.78 3.56 2.43 -0.56 -0.75 114.38 119.89 2pwg h ARG 84 Ca 0.46 -0.11 0.09 0.00 -0.81 0.00 0.00 59.98 59.62 2pwg h ARG 84 Cb 0.36 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.75 2pwg h ARG 84 CO -0.23 0.56 0.42 1.25 -1.51 0.00 0.00 179.97 180.46 2pwg h LEU 85 N 0.45 0.59 -0.25 3.80 5.85 0.16 -0.74 115.31 125.17 2pwg h LEU 85 Ca 0.12 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2pwg h LEU 85 Cb 0.21 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2pwg h LEU 85 CO -0.01 0.33 0.15 0.24 -0.34 0.00 0.00 178.44 178.81 2pwg h MET 86 N 0.71 0.33 -0.49 1.25 2.86 -0.63 -1.32 114.93 117.65 2pwg h MET 86 Ca 0.38 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.96 2pwg h MET 86 Cb 0.37 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2pwg h MET 86 CO -0.26 0.26 0.17 0.00 1.06 0.00 0.00 176.91 178.14 2pwg h ALA 87 N 1.05 0.64 0.00 6.32 0.00 -0.51 -1.79 119.26 124.98 2pwg h ALA 87 Ca 0.09 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2pwg h ALA 87 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2pwg h ALA 87 CO -0.02 0.28 -0.33 0.93 0.00 0.00 0.00 179.25 180.11 2pwg h GLU 88 N 0.66 0.00 -0.18 0.00 4.39 -1.04 -0.85 114.58 117.56 2pwg h GLU 88 Ca 0.16 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 2pwg h GLU 88 Cb 0.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2pwg h GLU 88 CO -0.01 0.33 -0.17 1.25 -1.16 0.00 0.00 179.01 179.25 2pwg h LEU 89 N 0.00 0.46 -0.70 1.33 5.85 -0.98 -3.09 115.31 118.17 2pwg h LEU 89 Ca -0.00 -0.48 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 2pwg h LEU 89 Cb 0.64 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2pwg h LEU 89 CO 0.04 0.84 0.30 0.50 -0.34 0.00 0.00 178.44 179.79 2pwg h LYS 90 N 0.08 1.04 -0.35 1.25 3.64 -0.95 0.13 116.57 121.41 2pwg h LYS 90 Ca 0.03 -0.18 0.10 0.00 -1.27 0.00 0.00 60.65 59.33 2pwg h LYS 90 Cb 0.71 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2pwg h LYS 90 CO 0.04 0.84 0.25 0.87 -2.27 0.00 0.00 179.45 179.19 2pwg h LYS 91 N 1.00 0.00 -0.67 1.90 1.57 -1.14 0.32 116.57 119.55 2pwg h LYS 91 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2pwg h LYS 91 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2pwg h LYS 91 CO -0.02 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.40 2pwg n ARG 92 N -4.40 3.04 -2.37 3.15 1.74 -0.73 -4.93 116.66 112.17 2pwg n ARG 92 Ca 0.05 -2.54 -0.20 0.00 -0.77 0.00 0.00 57.85 54.40 2pwg n ARG 92 Cb 0.43 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 30.17 2pwg n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pwg n GLY 93 N 1.34 -0.43 3.91 -0.13 0.00 0.11 -4.99 105.19 105.00 2pwg n GLY 93 Ca 0.23 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 2pwg n GLY 93 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pwg s MET 94 N -4.97 3.25 0.16 1.61 1.00 0.37 -4.99 119.30 115.73 2pwg s MET 94 Ca 0.00 -0.86 0.10 0.00 0.00 0.00 0.00 55.69 54.94 2pwg s MET 94 Cb 0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 34.83 32.01 2pwg s MET 94 CO 0.00 0.43 -0.21 1.03 0.00 0.00 0.00 175.02 176.27 2pwg s ARG 95 N -3.87 1.65 -0.10 2.03 0.52 -0.78 -4.10 118.95 114.30 2pwg s ARG 95 Ca 0.34 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 2pwg s ARG 95 Cb -0.09 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.39 2pwg s ARG 95 CO 0.27 0.43 -0.10 -1.17 0.02 0.00 0.00 175.30 174.76 2pwg s LEU 96 N -2.47 2.94 -0.13 2.53 2.96 -1.26 -1.06 118.68 122.20 2pwg s LEU 96 Ca 0.20 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 2pwg s LEU 96 Cb -0.09 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.95 2pwg s LEU 96 CO 0.10 0.26 -0.22 -0.32 -1.32 0.00 0.00 176.35 174.86 2pwg s MET 97 N -0.21 3.05 0.25 1.98 -2.45 0.16 -1.60 119.30 120.47 2pwg s MET 97 Ca 0.02 -0.85 0.07 0.00 -1.25 0.00 0.00 55.69 53.68 2pwg s MET 97 Cb -0.13 -2.42 -0.04 0.00 1.25 0.00 0.00 34.83 33.49 2pwg s MET 97 CO 0.03 0.04 0.17 0.14 1.05 0.00 0.00 175.02 176.45 2pwg s VAL 98 N 0.69 4.35 0.00 10.11 -7.23 -0.31 -1.31 120.40 126.69 2pwg s VAL 98 Ca -0.10 -1.44 -0.18 0.00 -1.81 0.00 0.00 61.98 58.45 2pwg s VAL 98 Cb -0.16 -3.34 -0.06 0.00 0.56 0.00 0.00 36.38 33.38 2pwg s VAL 98 CO 0.01 -0.34 0.51 -0.62 -0.31 0.00 0.00 175.10 174.35 2pwg s ASP 99 N -3.79 6.91 -0.22 4.85 -1.08 -1.15 -1.40 116.67 120.79 2pwg s ASP 99 Ca 0.33 1.08 0.01 0.00 -0.52 0.00 0.00 52.55 53.44 2pwg s ASP 99 Cb -0.08 -2.32 0.04 0.00 -1.46 0.00 0.00 42.92 39.10 2pwg s ASP 99 CO 0.24 0.21 -0.14 -0.69 0.52 0.00 0.00 175.17 175.31 2pwg s VAL 100 N -0.61 2.25 -0.73 1.11 1.01 0.13 -4.73 120.40 118.83 2pwg s VAL 100 Ca 0.27 -1.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 2pwg s VAL 100 Cb -0.18 -2.13 0.19 0.00 0.00 0.00 0.00 36.38 34.26 2pwg s VAL 100 CO 0.15 0.27 0.59 -0.69 0.00 0.00 0.00 175.10 175.42 2pwg s VAL 101 N 1.23 4.22 -0.14 2.92 1.01 -1.26 -1.27 120.40 127.11 2pwg s VAL 101 Ca -0.01 -3.11 0.15 0.00 0.00 0.00 0.00 61.98 59.00 2pwg s VAL 101 Cb -0.16 -3.68 0.34 0.00 0.00 0.00 0.00 36.38 32.87 2pwg s VAL 101 CO -0.08 -0.96 1.17 2.30 0.00 0.00 0.00 175.10 177.53 2pwg n ILE 102 N 3.27 1.71 0.04 2.22 -5.35 -1.26 -4.49 119.36 115.50 2pwg n ILE 102 Ca 0.12 -2.40 -0.04 0.00 -0.27 0.00 0.00 62.75 60.16 2pwg n ILE 102 Cb 0.39 -0.07 -0.09 0.00 -1.74 0.00 0.00 39.64 38.13 2pwg n ILE 102 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 2pwg h ASN 103 N 0.52 0.00 -5.07 7.28 -1.24 -1.88 -3.44 115.58 111.76 2pwg h ASN 103 Ca -0.02 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.95 2pwg h ASN 103 Cb 1.11 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 40.04 2pwg h ASN 103 CO 0.01 0.79 -0.01 -1.38 -1.29 0.00 0.00 177.43 175.55 2pwg s HIS 104 N -2.78 -0.24 0.49 0.67 -3.43 -1.26 -0.60 115.29 108.14 2pwg s HIS 104 Ca -0.02 -0.06 0.01 0.00 -0.80 0.00 0.00 55.06 54.19 2pwg s HIS 104 Cb 0.09 0.32 -0.00 0.00 -1.43 0.00 0.00 32.58 31.56 2pwg s HIS 104 CO 0.81 -0.76 0.04 -1.13 -2.00 0.00 0.00 174.74 171.70 2pwg n SER 105 N -0.27 2.90 -4.85 7.38 3.41 -0.83 -4.80 113.62 116.56 2pwg n SER 105 Ca -0.15 -3.24 -0.31 0.00 -0.26 0.00 0.00 58.87 54.92 2pwg n SER 105 Cb 0.64 0.52 0.04 0.00 -0.26 0.00 0.00 64.21 65.15 2pwg n SER 105 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2pwg s SER 106 N -3.75 5.53 0.00 4.04 0.15 0.68 -2.82 113.70 117.52 2pwg s SER 106 Ca 0.05 1.34 0.30 0.00 0.70 0.00 0.00 55.95 58.34 2pwg s SER 106 Cb 0.00 -2.22 1.38 0.00 -1.71 0.00 0.00 66.02 63.47 2pwg s SER 106 CO 0.04 -1.31 1.95 -0.90 1.20 0.00 0.00 173.24 174.22 2pwg n ASP 107 N -3.02 0.37 -0.88 5.45 5.75 -0.78 -2.96 116.55 120.48 2pwg n ASP 107 Ca 0.07 -0.62 0.12 0.00 -0.01 0.00 0.00 54.79 54.35 2pwg n ASP 107 Cb 0.55 -0.10 0.25 0.00 -1.03 0.00 0.00 41.12 40.80 2pwg n ASP 107 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pwg n GLN 108 N -0.95 2.18 -2.40 0.11 1.13 -1.26 -4.43 117.38 111.75 2pwg n GLN 108 Ca 0.16 -1.75 -0.41 0.00 -1.94 0.00 0.00 57.00 53.06 2pwg n GLN 108 Cb 0.25 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.09 2pwg n GLN 108 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2pwg s HIS 109 N -1.81 3.47 0.37 1.08 2.46 -1.16 -4.88 115.29 114.83 2pwg s HIS 109 Ca 0.34 1.56 0.14 0.00 0.47 0.00 0.00 55.06 57.56 2pwg s HIS 109 Cb 0.21 -3.38 0.97 0.00 -0.13 0.00 0.00 32.58 30.24 2pwg s HIS 109 CO 0.31 -0.94 1.80 0.93 -2.47 0.00 0.00 174.74 174.37 2pwg h GLU 110 N 4.41 0.52 -0.85 2.88 4.39 -1.92 1.00 114.58 125.00 2pwg h GLU 110 Ca -0.46 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.28 2pwg h GLU 110 Cb 1.21 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.69 2pwg h GLU 110 CO 0.70 0.34 0.55 -1.49 -1.16 0.00 0.00 179.01 177.95 2pwg h TRP 111 N 0.53 0.94 0.10 4.33 6.55 -1.93 -1.49 115.95 124.98 2pwg h TRP 111 Ca 0.54 0.02 -0.28 0.00 0.95 0.00 0.00 58.89 60.13 2pwg h TRP 111 Cb 1.17 -0.31 0.03 0.00 -0.86 0.00 0.00 29.16 29.19 2pwg h TRP 111 CO -0.00 0.48 -1.16 0.35 -1.05 0.00 0.00 178.44 177.06 2pwg h PHE 112 N 0.91 0.98 -0.75 0.49 3.57 -1.14 -0.25 116.94 120.75 2pwg h PHE 112 Ca 0.37 -0.60 0.05 0.00 3.53 0.00 0.00 57.97 61.32 2pwg h PHE 112 Cb 0.27 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 2pwg h PHE 112 CO -0.00 1.44 0.49 0.87 -2.23 0.00 0.00 178.31 178.88 2pwg h LYS 113 N 0.24 0.84 0.21 1.11 1.57 -1.07 -0.78 116.57 118.69 2pwg h LYS 113 Ca -0.17 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 2pwg h LYS 113 Cb 1.84 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.96 2pwg h LYS 113 CO 0.22 0.55 -0.10 0.77 -0.57 0.00 0.00 179.45 180.33 2pwg h SER 114 N 0.86 -0.24 -0.85 0.86 0.02 -1.27 -3.22 113.55 109.71 2pwg h SER 114 Ca 0.31 -0.29 0.22 0.00 -0.84 0.00 0.00 61.79 61.19 2pwg h SER 114 Cb 0.13 0.06 -0.14 0.00 0.14 0.00 0.00 62.40 62.59 2pwg h SER 114 CO -0.10 0.25 0.14 -1.28 -1.14 0.00 0.00 176.83 174.71 2pwg h SER 115 N -0.84 -0.15 1.49 3.07 0.87 -0.62 -1.54 113.55 115.83 2pwg h SER 115 Ca -0.03 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2pwg h SER 115 Cb 0.51 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2pwg h SER 115 CO 0.05 -0.18 0.00 0.08 -0.53 0.00 0.00 176.83 176.25 2pwg h ARG 116 N 0.16 0.00 -0.80 2.24 0.11 -1.25 -3.36 114.38 111.49 2pwg h ARG 116 Ca 0.51 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.66 2pwg h ARG 116 Cb 1.00 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.01 2pwg h ARG 116 CO -0.68 0.00 0.47 0.00 0.10 0.00 0.00 179.97 179.86 2pwg h ALA 117 N 2.27 1.11 -2.99 0.08 0.00 -1.28 -3.42 119.26 115.03 2pwg h ALA 117 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2pwg h ALA 117 Cb 0.74 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 2pwg h ALA 117 CO 0.00 0.16 0.20 -1.54 0.00 0.00 0.00 179.25 178.07 2pwg s SER 118 N -5.67 -0.42 0.41 0.00 1.04 -1.26 -4.88 113.70 102.93 2pwg s SER 118 Ca -0.13 -0.28 0.20 0.00 0.48 0.00 0.00 55.95 56.23 2pwg s SER 118 Cb 0.18 0.65 0.85 0.00 0.10 0.00 0.00 66.02 67.80 2pwg s SER 118 CO 0.78 -1.13 1.81 0.11 0.98 0.00 0.00 173.24 175.80 2pwg h LYS 119 N 2.02 0.00 -0.64 4.02 1.57 -1.89 -3.00 116.57 118.65 2pwg h LYS 119 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2pwg h LYS 119 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2pwg h LYS 119 CO 0.32 0.31 0.00 -0.40 -0.57 0.00 0.00 179.45 179.11 2pwg n ASP 120 N -3.58 3.86 -4.77 0.86 5.75 -1.26 -4.87 116.55 112.55 2pwg n ASP 120 Ca -0.01 -2.23 -0.39 0.00 -0.01 0.00 0.00 54.79 52.16 2pwg n ASP 120 Cb 0.44 -0.49 -0.01 0.00 -1.03 0.00 0.00 41.12 40.03 2pwg n ASP 120 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2pwg s ASN 121 N -0.90 6.40 0.10 -1.12 3.84 -1.14 -4.89 114.94 117.23 2pwg s ASN 121 Ca 0.43 2.56 0.16 0.00 0.21 0.00 0.00 52.86 56.23 2pwg s ASN 121 Cb 0.26 -2.63 0.69 0.00 -0.55 0.00 0.00 41.25 39.02 2pwg s ASN 121 CO 0.24 -0.78 1.49 -0.81 -2.79 0.00 0.00 177.10 174.46 2pwg n PRO 122 N 0.16 0.07 -0.29 0.43 -0.04 -1.26 -1.91 135.00 132.15 2pwg n PRO 122 Ca 0.04 0.36 0.10 0.00 -0.04 0.00 0.00 63.50 63.96 2pwg n PRO 122 Cb 0.44 -1.65 0.26 0.00 -0.04 0.00 0.00 33.50 32.52 2pwg n PRO 122 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pwg n TYR 123 N -1.78 0.78 -0.28 0.54 4.02 -1.26 -4.56 117.16 114.61 2pwg n TYR 123 Ca 0.02 -0.47 0.03 0.00 -0.01 0.00 0.00 57.90 57.48 2pwg n TYR 123 Cb 0.16 -0.01 0.17 0.00 -0.02 0.00 0.00 39.34 39.63 2pwg n TYR 123 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2pwg h ARG 124 N 3.67 0.73 -0.75 -0.72 9.65 -1.59 -0.97 114.38 124.39 2pwg h ARG 124 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2pwg h ARG 124 Cb 0.91 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 2pwg h ARG 124 CO 0.00 0.48 0.00 -0.25 2.80 0.00 0.00 179.97 183.00 2pwg n ASP 125 N -4.77 3.38 0.04 -3.80 8.00 -1.26 -3.39 116.55 114.75 2pwg n ASP 125 Ca 0.13 -2.45 0.13 0.00 0.71 0.00 0.00 54.79 53.32 2pwg n ASP 125 Cb 0.29 -0.57 0.50 0.00 -0.02 0.00 0.00 41.12 41.32 2pwg n ASP 125 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2pwg n TYR 126 N 0.35 0.38 -4.35 1.24 4.02 -0.37 -4.55 117.16 113.88 2pwg n TYR 126 Ca 0.14 0.11 -0.20 0.00 -0.01 0.00 0.00 57.90 57.94 2pwg n TYR 126 Cb 0.72 -0.67 -0.07 0.00 -0.02 0.00 0.00 39.34 39.30 2pwg n TYR 126 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2pwg n TYR 127 N -1.82 -0.33 -3.68 -0.72 4.02 -1.22 -0.56 117.16 112.86 2pwg n TYR 127 Ca 0.06 -2.47 -0.38 0.00 -0.01 0.00 0.00 57.90 55.10 2pwg n TYR 127 Cb 0.38 0.14 -0.12 0.00 -0.02 0.00 0.00 39.34 39.72 2pwg n TYR 127 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2pwg s PHE 128 N -3.10 3.18 -0.09 -0.72 0.08 -1.25 -4.67 117.98 111.40 2pwg s PHE 128 Ca 0.28 -0.72 0.03 0.00 0.12 0.00 0.00 56.93 56.64 2pwg s PHE 128 Cb 0.01 -2.34 -0.01 0.00 -0.57 0.00 0.00 43.02 40.11 2pwg s PHE 128 CO 0.20 -0.51 -0.20 -1.58 -0.10 0.00 0.00 175.22 173.03 2pwg s TRP 129 N 1.58 2.61 0.00 0.36 0.52 -1.26 -2.14 118.94 120.61 2pwg s TRP 129 Ca 0.04 -0.70 -0.15 0.00 0.02 0.00 0.00 56.10 55.31 2pwg s TRP 129 Cb -0.17 -1.70 0.02 0.00 -1.15 0.00 0.00 33.47 30.47 2pwg s TRP 129 CO 0.05 -0.21 0.31 1.03 0.02 0.00 0.00 176.95 178.16 2pwg s ARG 130 N 0.03 0.71 0.43 4.98 1.81 -0.56 -4.96 118.95 121.39 2pwg s ARG 130 Ca -0.07 -0.28 -0.23 0.00 -1.72 0.00 0.00 55.73 53.44 2pwg s ARG 130 Cb -0.15 0.31 -0.09 0.00 -0.45 0.00 0.00 34.95 34.58 2pwg s ARG 130 CO 0.05 -0.20 1.05 -0.51 -0.68 0.00 0.00 175.30 175.01 2pwg s ASP 131 N -1.53 6.57 1.12 0.23 1.01 -1.26 -1.16 116.67 121.65 2pwg s ASP 131 Ca -0.11 2.01 -0.18 0.00 0.71 0.00 0.00 52.55 54.98 2pwg s ASP 131 Cb -0.04 -2.58 0.26 0.00 1.01 0.00 0.00 42.92 41.57 2pwg s ASP 131 CO 0.02 -0.63 1.17 -0.83 0.21 0.00 0.00 175.17 175.12 2pwg s GLY 132 N -1.71 1.64 0.02 0.21 0.00 -1.26 -4.20 107.32 102.01 2pwg s GLY 132 Ca 0.62 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 44.36 2pwg s GLY 132 CO 0.25 -0.16 -0.05 0.54 0.00 0.00 0.00 173.10 173.68 2pwg s LYS 133 N -5.53 0.40 -1.67 2.90 3.01 0.40 -4.77 119.74 114.47 2pwg s LYS 133 Ca 0.71 -0.42 -0.18 0.00 -1.01 0.00 0.00 55.97 55.08 2pwg s LYS 133 Cb -0.08 -0.26 0.14 0.00 -1.01 0.00 0.00 37.83 36.62 2pwg s LYS 133 CO 0.55 0.06 0.83 -0.40 0.51 0.00 0.00 175.35 176.90 2pwg n ASP 134 N 2.27 -3.62 0.00 2.83 3.85 -1.26 0.18 116.55 120.80 2pwg n ASP 134 Ca -0.18 -0.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.94 2pwg n ASP 134 Cb 0.57 -3.00 0.00 0.00 -1.35 0.00 0.00 41.12 37.34 2pwg n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2pwg n GLY 135 N -1.46 0.19 0.00 6.12 0.00 -1.26 -4.95 105.19 103.83 2pwg n GLY 135 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2pwg n GLY 135 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2pwg n HIS 136 N -2.35 0.00 -1.09 1.61 -0.00 0.49 -5.12 115.22 108.76 2pwg n HIS 136 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.44 2pwg n HIS 136 Cb 0.30 0.00 0.19 0.00 -0.00 0.00 0.00 29.99 30.49 2pwg n HIS 136 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2pwg s GLU 137 N -1.35 0.11 0.34 -1.40 8.01 -1.26 -0.46 118.70 122.70 2pwg s GLU 137 Ca 0.00 0.50 0.02 0.00 0.01 0.00 0.00 54.97 55.50 2pwg s GLU 137 Cb 0.00 -1.70 0.62 0.00 -4.31 0.00 0.00 34.13 28.74 2pwg s GLU 137 CO 0.00 -2.94 1.98 -1.35 0.01 0.00 0.00 175.26 172.95 2pwg h PRO 138 N -2.05 0.86 0.00 0.39 0.11 -1.86 -2.63 132.00 126.82 2pwg h PRO 138 Ca -0.56 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.48 2pwg h PRO 138 Cb 1.33 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2pwg h PRO 138 CO 0.57 0.57 0.09 0.27 -0.21 0.00 0.00 178.00 179.29 2pwg n ASN 139 N -4.45 -0.82 -0.86 -2.05 0.23 -1.26 -4.68 115.26 101.37 2pwg n ASN 139 Ca 0.09 -1.60 0.00 0.00 -0.53 0.00 0.00 54.58 52.54 2pwg n ASN 139 Cb 0.11 1.38 0.08 0.00 -2.08 0.00 0.00 39.78 39.27 2pwg n ASN 139 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2pwg n ASN 140 N -1.27 2.17 -4.68 0.53 0.23 -1.26 -4.94 115.26 106.04 2pwg n ASN 140 Ca -0.03 -2.22 -0.42 0.00 -0.53 0.00 0.00 54.58 51.38 2pwg n ASN 140 Cb 0.22 -0.54 -0.03 0.00 -2.08 0.00 0.00 39.78 37.35 2pwg n ASN 140 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 2pwg s TYR 141 N -1.26 1.95 0.16 -2.53 1.51 -1.26 -4.87 117.35 111.06 2pwg s TYR 141 Ca 0.11 -0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.11 2pwg s TYR 141 Cb 0.09 -4.15 -0.04 0.00 -0.11 0.00 0.00 41.96 37.75 2pwg s TYR 141 CO 0.03 -4.86 0.32 -1.25 -1.11 0.00 0.00 175.55 168.68 2pwg s PRO 142 N 3.23 3.47 -0.05 -1.71 0.04 -1.26 -0.45 135.00 138.27 2pwg s PRO 142 Ca 0.82 -0.51 -0.04 0.00 0.04 0.00 0.00 61.00 61.31 2pwg s PRO 142 Cb -0.44 -2.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2pwg s PRO 142 CO 0.37 0.48 0.14 0.45 0.04 0.00 0.00 177.00 178.48 2pwg s SER 143 N -3.19 6.17 0.52 6.66 0.15 0.84 -4.40 113.70 120.45 2pwg s SER 143 Ca 0.36 0.33 0.18 0.00 0.70 0.00 0.00 55.95 57.52 2pwg s SER 143 Cb -0.11 -1.92 1.29 0.00 -1.71 0.00 0.00 66.02 63.57 2pwg s SER 143 CO 0.29 0.32 2.12 -0.26 1.20 0.00 0.00 173.24 176.91 2pwg h PHE 144 N 4.31 0.00 -0.57 3.44 0.04 -1.45 -2.43 116.94 120.27 2pwg h PHE 144 Ca -0.51 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.26 2pwg h PHE 144 Cb 1.20 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 2pwg h PHE 144 CO 0.69 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 179.59 2pwg n PHE 145 N -4.51 1.94 0.00 -0.55 3.72 -1.26 -4.91 117.46 111.88 2pwg n PHE 145 Ca -0.01 -0.72 0.00 0.00 -0.05 0.00 0.00 57.45 56.67 2pwg n PHE 145 Cb 0.18 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.26 2pwg n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pwg n GLY 146 N 0.65 3.52 7.00 1.37 0.00 -0.92 -3.95 105.19 112.86 2pwg n GLY 146 Ca 0.27 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2pwg n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pwg n GLY 147 N 0.46 0.53 3.78 -0.02 0.00 -1.26 -4.51 105.19 104.17 2pwg n GLY 147 Ca 0.00 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 2pwg n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pwg s SER 148 N -4.00 5.78 0.00 1.61 0.15 -1.26 -0.11 113.70 115.87 2pwg s SER 148 Ca 0.00 2.03 0.14 0.00 0.70 0.00 0.00 55.95 58.82 2pwg s SER 148 Cb 0.00 -2.56 0.56 0.00 -1.71 0.00 0.00 66.02 62.31 2pwg s SER 148 CO 0.00 -1.17 1.40 0.00 1.20 0.00 0.00 173.24 174.67 2pwg n ALA 149 N -1.52 2.51 -3.13 5.45 0.00 0.41 -4.26 120.51 119.97 2pwg n ALA 149 Ca 0.10 -0.37 -0.32 0.00 0.00 0.00 0.00 53.44 52.85 2pwg n ALA 149 Cb 0.52 -1.08 -0.16 0.00 0.00 0.00 0.00 19.45 18.72 2pwg n ALA 149 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2pwg s TRP 150 N -1.80 2.64 -0.18 0.00 0.52 -1.26 -0.10 118.94 118.76 2pwg s TRP 150 Ca 0.23 -0.88 0.01 0.00 0.02 0.00 0.00 56.10 55.48 2pwg s TRP 150 Cb 0.12 -1.74 0.03 0.00 -1.15 0.00 0.00 33.47 30.72 2pwg s TRP 150 CO 0.18 -0.33 -0.16 -2.00 0.02 0.00 0.00 176.95 174.66 2pwg s GLU 151 N 0.29 2.58 0.32 4.98 2.56 -0.58 -4.92 118.70 123.93 2pwg s GLU 151 Ca -0.15 -0.78 -0.28 0.00 0.00 0.00 0.00 54.97 53.76 2pwg s GLU 151 Cb -0.17 -2.42 -0.09 0.00 2.00 0.00 0.00 34.13 33.44 2pwg s GLU 151 CO 0.07 -0.28 1.15 0.21 -0.56 0.00 0.00 175.26 175.85 2pwg s LYS 152 N 1.35 4.43 -0.23 4.30 2.20 -1.26 -1.37 119.74 129.16 2pwg s LYS 152 Ca 0.03 1.86 0.02 0.00 -0.36 0.00 0.00 55.97 57.52 2pwg s LYS 152 Cb -0.14 -3.01 0.05 0.00 -1.51 0.00 0.00 37.83 33.22 2pwg s LYS 152 CO -0.11 0.01 -0.13 0.34 -0.36 0.00 0.00 175.35 175.09 2pwg s ASP 153 N -0.92 4.03 0.31 1.43 -1.08 -0.01 -4.94 116.67 115.49 2pwg s ASP 153 Ca 0.49 -1.17 0.07 0.00 -0.52 0.00 0.00 52.55 51.42 2pwg s ASP 153 Cb -0.32 -1.51 0.79 0.00 -1.46 0.00 0.00 42.92 40.41 2pwg s ASP 153 CO 0.41 -0.14 1.76 -0.65 0.52 0.00 0.00 175.17 177.07 2pwg h PRO 154 N 7.83 0.66 -1.21 4.34 0.11 -1.94 0.23 132.00 142.02 2pwg h PRO 154 Ca -0.27 -0.04 0.35 0.00 0.11 0.00 0.00 66.00 66.15 2pwg h PRO 154 Cb 1.07 -0.15 -0.09 0.00 0.11 0.00 0.00 31.00 31.94 2pwg h PRO 154 CO 0.51 0.44 0.81 0.28 -0.21 0.00 0.00 178.00 179.83 2pwg h VAL 155 N 0.68 0.36 0.00 3.15 2.07 -1.95 -3.19 116.25 117.38 2pwg h VAL 155 Ca 0.60 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 68.06 2pwg h VAL 155 Cb 1.01 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2pwg h VAL 155 CO -0.42 0.03 -0.05 0.35 0.02 0.00 0.00 177.57 177.50 2pwg n THR 156 N -4.47 0.00 -0.54 2.57 -2.24 -0.65 -4.93 114.28 104.03 2pwg n THR 156 Ca 0.29 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2pwg n THR 156 Cb 1.19 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 70.33 2pwg n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwg n GLY 157 N 0.52 1.54 3.97 3.38 0.00 0.71 -5.02 105.19 110.29 2pwg n GLY 157 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2pwg n GLY 157 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pwg s GLN 158 N -0.15 3.31 -0.01 1.61 -0.21 -1.24 -4.69 119.66 118.28 2pwg s GLN 158 Ca 0.00 -0.86 -0.01 0.00 0.02 0.00 0.00 55.36 54.51 2pwg s GLN 158 Cb 0.00 -2.86 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 2pwg s GLN 158 CO 0.00 0.30 0.09 0.71 -2.12 0.00 0.00 175.29 174.27 2pwg s TYR 159 N -2.05 3.33 0.18 0.91 1.51 -0.31 -0.83 117.35 120.08 2pwg s TYR 159 Ca 0.38 0.24 0.07 0.00 -1.01 0.00 0.00 57.07 56.75 2pwg s TYR 159 Cb -0.09 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2pwg s TYR 159 CO 0.30 0.57 0.04 1.52 -1.11 0.00 0.00 175.55 176.87 2pwg s TYR 160 N -1.19 2.93 0.04 2.71 -0.85 -0.47 -1.50 117.35 119.01 2pwg s TYR 160 Ca 0.23 -0.11 -0.17 0.00 -0.52 0.00 0.00 57.07 56.50 2pwg s TYR 160 Cb -0.12 -1.41 -0.06 0.00 0.38 0.00 0.00 41.96 40.75 2pwg s TYR 160 CO 0.14 0.52 0.49 -1.17 -1.52 0.00 0.00 175.55 174.01 2pwg s LEU 161 N -3.03 4.50 -0.27 -3.49 2.96 -0.91 -1.53 118.68 116.91 2pwg s LEU 161 Ca 0.29 1.11 -0.00 0.00 -0.22 0.00 0.00 54.13 55.30 2pwg s LEU 161 Cb -0.09 -2.75 0.15 0.00 0.50 0.00 0.00 46.19 43.99 2pwg s LEU 161 CO 0.20 0.30 0.38 -1.38 -1.32 0.00 0.00 176.35 174.53 2pwg s HIS 162 N -1.11 -0.88 0.25 5.38 -3.43 0.86 -1.61 115.29 114.76 2pwg s HIS 162 Ca 0.27 0.49 -0.04 0.00 -0.80 0.00 0.00 55.06 54.98 2pwg s HIS 162 Cb -0.18 -0.11 0.30 0.00 -1.43 0.00 0.00 32.58 31.16 2pwg s HIS 162 CO 0.16 -0.86 1.79 1.88 -2.00 0.00 0.00 174.74 175.71 2pwg h TYR 163 N 8.18 0.98 0.00 0.38 0.05 -1.81 -3.41 116.97 121.34 2pwg h TYR 163 Ca -0.14 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.54 2pwg h TYR 163 Cb 1.13 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.59 2pwg h TYR 163 CO 0.21 0.81 0.00 1.19 -1.05 0.00 0.00 178.16 179.31 2pwg n PHE 164 N -4.26 0.00 -1.19 4.88 3.01 -1.26 -1.31 117.46 117.33 2pwg n PHE 164 Ca 0.04 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.16 2pwg n PHE 164 Cb 0.24 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 39.81 2pwg n PHE 164 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pwg n GLY 165 N 5.00 -0.65 0.29 1.37 0.00 -1.26 -4.43 105.19 105.51 2pwg n GLY 165 Ca 0.00 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.70 2pwg n GLY 165 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pwg h ARG 166 N -0.65 0.00 -0.72 1.61 3.08 -1.93 0.42 114.38 116.19 2pwg h ARG 166 Ca -0.46 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.52 2pwg h ARG 166 Cb 1.32 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.32 2pwg h ARG 166 CO 0.44 0.00 0.09 1.04 -1.07 0.00 0.00 179.97 180.48 2pwg n GLN 167 N -4.27 3.82 -3.30 0.04 6.02 -1.26 -4.44 117.38 113.99 2pwg n GLN 167 Ca -0.01 -2.55 -0.25 0.00 -0.01 0.00 0.00 57.00 54.17 2pwg n GLN 167 Cb 0.17 -2.10 -0.07 0.00 1.02 0.00 0.00 30.24 29.26 2pwg n GLN 167 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2pwg n GLN 168 N 0.28 1.62 -1.92 -1.09 6.02 0.14 -1.86 117.38 120.56 2pwg n GLN 168 Ca 0.27 -3.94 -0.42 0.00 -0.01 0.00 0.00 57.00 52.90 2pwg n GLN 168 Cb 1.10 -1.73 -0.03 0.00 1.02 0.00 0.00 30.24 30.60 2pwg n GLN 168 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2pwg s PRO 169 N -1.84 4.20 0.19 -1.09 0.04 -1.13 -4.50 135.00 130.87 2pwg s PRO 169 Ca 0.38 2.35 -0.31 0.00 0.04 0.00 0.00 61.00 63.45 2pwg s PRO 169 Cb 0.16 -3.46 -0.10 0.00 0.04 0.00 0.00 34.50 31.14 2pwg s PRO 169 CO -0.06 -0.70 1.59 -0.51 0.04 0.00 0.00 177.00 177.36 2pwg s ASP 170 N 2.01 6.54 0.44 6.66 1.11 -0.63 -1.97 116.67 130.84 2pwg s ASP 170 Ca 0.73 2.69 -0.23 0.00 0.18 0.00 0.00 52.55 55.92 2pwg s ASP 170 Cb -0.41 -2.60 -0.08 0.00 1.07 0.00 0.00 42.92 40.90 2pwg s ASP 170 CO 0.32 -0.85 1.11 -0.76 1.18 0.00 0.00 175.17 176.17 2pwg s LEU 171 N 0.92 4.03 -0.86 1.23 1.43 0.23 -3.97 118.68 121.70 2pwg s LEU 171 Ca 0.70 2.16 -0.16 0.00 -1.03 0.00 0.00 54.13 55.79 2pwg s LEU 171 Cb -0.45 -4.27 0.18 0.00 0.03 0.00 0.00 46.19 41.67 2pwg s LEU 171 CO 0.33 -0.76 0.92 0.21 0.23 0.00 0.00 176.35 177.28 2pwg s ASN 172 N -1.52 6.67 0.25 2.29 3.84 0.28 -4.88 114.94 121.86 2pwg s ASN 172 Ca 0.62 -2.35 0.21 0.00 0.21 0.00 0.00 52.86 51.55 2pwg s ASN 172 Cb -0.24 -2.29 0.97 0.00 -0.55 0.00 0.00 41.25 39.13 2pwg s ASN 172 CO 0.30 -0.81 1.63 0.79 -2.79 0.00 0.00 177.10 176.22 2pwg n TRP 173 N 5.19 0.68 0.89 0.43 7.02 -1.26 -1.84 117.44 128.54 2pwg n TRP 173 Ca 0.17 0.30 0.11 0.00 -1.02 0.00 0.00 57.50 57.06 2pwg n TRP 173 Cb 0.48 -0.99 0.51 0.00 -2.42 0.00 0.00 31.31 28.89 2pwg n TRP 173 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2pwg n ASP 174 N -2.15 0.00 -4.46 -0.99 8.00 -1.26 -4.57 116.55 111.11 2pwg n ASP 174 Ca 0.01 0.30 -0.43 0.00 0.71 0.00 0.00 54.79 55.37 2pwg n ASP 174 Cb 0.14 -0.42 -0.08 0.00 -0.02 0.00 0.00 41.12 40.74 2pwg n ASP 174 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2pwg s THR 175 N -2.84 5.06 0.25 -3.53 2.01 -0.77 -4.96 115.64 110.86 2pwg s THR 175 Ca 0.15 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 2pwg s THR 175 Cb 0.15 -4.10 0.26 0.00 0.01 0.00 0.00 72.50 68.81 2pwg s THR 175 CO 0.39 -0.52 1.67 -0.65 -0.69 0.00 0.00 174.62 174.81 2pwg h PRO 176 N 8.79 0.22 -0.84 4.92 0.11 -1.88 -1.00 132.00 142.32 2pwg h PRO 176 Ca -0.27 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.89 2pwg h PRO 176 Cb 1.11 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 2pwg h PRO 176 CO 0.84 0.15 0.55 0.87 -0.21 0.00 0.00 178.00 180.20 2pwg h LYS 177 N 0.23 0.93 0.17 1.05 1.57 -1.96 0.10 116.57 118.66 2pwg h LYS 177 Ca 0.44 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 2pwg h LYS 177 Cb 0.78 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2pwg h LYS 177 CO -0.56 0.61 -0.08 1.25 -0.57 0.00 0.00 179.45 180.10 2pwg h LEU 178 N 0.96 -0.19 -0.89 2.94 7.12 -1.53 -1.30 115.31 122.42 2pwg h LEU 178 Ca 0.36 -0.24 0.17 0.00 0.13 0.00 0.00 57.88 58.30 2pwg h LEU 178 Cb 0.18 0.05 -0.10 0.00 -0.53 0.00 0.00 40.66 40.26 2pwg h LEU 178 CO -0.12 0.15 0.46 0.03 -0.13 0.00 0.00 178.44 178.82 2pwg h ARG 179 N -0.56 0.58 0.00 1.25 3.08 -0.75 0.25 114.38 118.23 2pwg h ARG 179 Ca -0.02 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 2pwg h ARG 179 Cb 0.42 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2pwg h ARG 179 CO 0.04 0.39 -0.41 0.93 -1.07 0.00 0.00 179.97 179.85 2pwg h GLU 180 N 0.60 0.00 -0.09 0.04 4.39 -0.87 -1.79 114.58 116.87 2pwg h GLU 180 Ca 0.50 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 60.00 2pwg h GLU 180 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2pwg h GLU 180 CO -0.40 0.41 -0.78 1.49 -1.16 0.00 0.00 179.01 178.57 2pwg h GLU 181 N 0.00 0.52 -0.48 2.33 4.81 0.60 -2.24 114.58 120.11 2pwg h GLU 181 Ca -0.00 -0.45 -0.10 0.00 -0.13 0.00 0.00 59.36 58.68 2pwg h GLU 181 Cb 0.79 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 2pwg h GLU 181 CO 0.05 1.08 -0.11 -0.07 -0.73 0.00 0.00 179.01 179.23 2pwg h LEU 182 N 0.35 0.89 -0.41 1.64 3.38 -0.54 -1.66 115.31 118.95 2pwg h LEU 182 Ca -0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2pwg h LEU 182 Cb 1.38 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2pwg h LEU 182 CO 0.14 1.01 0.18 1.88 0.09 0.00 0.00 178.44 181.74 2pwg h TYR 183 N 0.80 0.61 -0.49 1.13 0.05 -1.24 -0.03 116.97 117.80 2pwg h TYR 183 Ca 0.13 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 2pwg h TYR 183 Cb 0.63 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 2pwg h TYR 183 CO 0.04 0.52 0.24 0.00 -1.05 0.00 0.00 178.16 177.91 2pwg h ALA 184 N 1.03 1.51 -0.48 3.88 0.00 -1.20 -1.24 119.26 122.75 2pwg h ALA 184 Ca 0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2pwg h ALA 184 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2pwg h ALA 184 CO -0.01 0.40 0.11 1.98 0.00 0.00 0.00 179.25 181.73 2pwg h MET 185 N 0.68 0.77 -0.32 0.00 1.85 -0.53 -2.31 114.93 115.06 2pwg h MET 185 Ca 0.17 -0.19 -0.04 0.00 -0.61 0.00 0.00 59.70 59.04 2pwg h MET 185 Cb 0.06 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 31.98 2pwg h MET 185 CO -0.02 0.76 0.06 -0.07 -0.40 0.00 0.00 176.91 177.24 2pwg h LEU 186 N 0.65 0.51 -1.65 3.39 3.38 0.01 -2.49 115.31 119.11 2pwg h LEU 186 Ca 0.15 -0.25 0.10 0.00 0.09 0.00 0.00 57.88 57.98 2pwg h LEU 186 Cb 0.33 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2pwg h LEU 186 CO 0.00 0.63 0.41 0.03 0.09 0.00 0.00 178.44 179.60 2pwg h ARG 187 N 0.37 0.38 -0.30 1.13 3.08 -1.15 0.90 114.38 118.79 2pwg h ARG 187 Ca 0.10 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.18 2pwg h ARG 187 Cb 0.33 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 2pwg h ARG 187 CO 0.00 0.25 -0.01 0.35 -1.07 0.00 0.00 179.97 179.50 2pwg h PHE 188 N 0.39 -0.03 -0.04 3.04 3.57 -0.95 0.49 116.94 123.41 2pwg h PHE 188 Ca 0.28 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.59 2pwg h PHE 188 Cb 0.59 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.39 2pwg h PHE 188 CO -0.00 -0.06 -0.86 -1.49 -2.23 0.00 0.00 178.31 173.67 2pwg h TRP 189 N 0.08 0.66 -0.46 0.41 4.06 -0.99 -3.14 115.95 116.57 2pwg h TRP 189 Ca 0.14 -0.33 -0.08 0.00 2.06 0.00 0.00 58.89 60.68 2pwg h TRP 189 Cb 0.19 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.25 2pwg h TRP 189 CO -0.23 1.13 -0.06 -0.07 -3.56 0.00 0.00 178.44 175.66 2pwg h LEU 190 N 0.29 0.77 -2.33 -4.49 3.38 -0.45 -1.49 115.31 110.99 2pwg h LEU 190 Ca -0.06 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2pwg h LEU 190 Cb 1.48 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 2pwg h LEU 190 CO 0.15 0.88 -0.02 0.44 0.09 0.00 0.00 178.44 179.97 2pwg h ASP 191 N 0.73 0.00 0.53 -0.43 3.32 -0.02 0.17 116.42 120.72 2pwg h ASP 191 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2pwg h ASP 191 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2pwg h ASP 191 CO 0.03 0.02 -0.07 0.29 -1.72 0.00 0.00 179.24 177.79 2pwg n LYS 192 N -3.24 0.46 -0.04 3.56 5.02 -0.57 -4.92 118.16 118.43 2pwg n LYS 192 Ca -0.02 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 2pwg n LYS 192 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 2pwg n LYS 192 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pwg n GLY 193 N 1.32 0.98 3.73 0.72 0.00 0.61 -5.06 105.19 107.48 2pwg n GLY 193 Ca 0.13 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2pwg n GLY 193 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pwg n VAL 194 N -2.04 2.35 0.29 1.61 0.24 -1.21 -4.89 118.33 114.67 2pwg n VAL 194 Ca 0.00 -0.50 0.12 0.00 -2.04 0.00 0.00 64.34 61.92 2pwg n VAL 194 Cb 0.00 -1.73 0.05 0.00 -1.47 0.00 0.00 33.84 30.69 2pwg n VAL 194 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2pwg n SER 195 N 0.30 0.78 -3.61 -1.34 7.64 -0.63 -4.79 113.62 111.97 2pwg n SER 195 Ca 0.05 0.21 -0.15 0.00 1.01 0.00 0.00 58.87 59.98 2pwg n SER 195 Cb 0.39 0.41 -0.06 0.00 -1.01 0.00 0.00 64.21 63.93 2pwg n SER 195 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2pwg s GLY 196 N -4.09 -0.40 -0.06 0.23 0.00 -0.72 -1.05 107.32 101.23 2pwg s GLY 196 Ca 0.02 0.77 0.02 0.00 0.00 0.00 0.00 44.72 45.52 2pwg s GLY 196 CO 0.77 0.47 -0.09 1.06 0.00 0.00 0.00 173.10 175.32 2pwg s MET 197 N -1.70 1.33 -0.14 2.90 1.00 -0.56 -1.17 119.30 120.96 2pwg s MET 197 Ca -0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 55.69 55.29 2pwg s MET 197 Cb -0.02 -1.18 -0.03 0.00 0.00 0.00 0.00 34.83 33.61 2pwg s MET 197 CO 0.04 -0.03 -0.06 0.50 0.00 0.00 0.00 175.02 175.47 2pwg s ARG 198 N 0.83 3.53 -0.37 2.03 3.52 -0.49 -0.90 118.95 127.09 2pwg s ARG 198 Ca -0.12 -0.55 -0.12 0.00 -0.13 0.00 0.00 55.73 54.80 2pwg s ARG 198 Cb -0.15 -2.83 0.01 0.00 -1.56 0.00 0.00 34.95 30.42 2pwg s ARG 198 CO 0.02 0.28 0.24 -0.06 -0.81 0.00 0.00 175.30 174.97 2pwg s PHE 199 N 0.23 3.23 0.16 5.12 0.40 0.16 0.18 117.98 127.47 2pwg s PHE 199 Ca -0.04 -0.66 -0.33 0.00 -0.60 0.00 0.00 56.93 55.31 2pwg s PHE 199 Cb -0.14 -2.48 -0.13 0.00 0.51 0.00 0.00 43.02 40.78 2pwg s PHE 199 CO 0.03 -0.55 1.69 -3.47 0.70 0.00 0.00 175.22 173.62 2pwg n ASP 200 N 5.07 3.59 -3.95 1.36 2.03 -0.39 -1.26 116.55 122.99 2pwg n ASP 200 Ca -0.12 1.06 -0.30 0.00 0.52 0.00 0.00 54.79 55.94 2pwg n ASP 200 Cb 0.47 -1.50 0.01 0.00 -0.72 0.00 0.00 41.12 39.39 2pwg n ASP 200 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2pwg n THR 201 N 3.89 -1.62 0.28 5.18 5.66 -1.21 -4.62 114.28 121.85 2pwg n THR 201 Ca 0.17 -0.38 0.15 0.00 -3.05 0.00 0.00 64.05 60.95 2pwg n THR 201 Cb 0.32 -1.38 0.83 0.00 -1.55 0.00 0.00 70.33 68.55 2pwg n THR 201 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 2pwg h VAL 202 N -0.61 0.37 -0.00 1.08 3.04 -1.17 -2.93 116.25 116.04 2pwg h VAL 202 Ca -0.46 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 64.84 2pwg h VAL 202 Cb 0.90 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 2pwg h VAL 202 CO 0.34 0.07 -0.03 0.00 -1.01 0.00 0.00 177.57 176.93 2pwg n ALA 203 N -2.22 2.49 1.02 3.17 0.00 -1.26 -3.74 120.51 119.98 2pwg n ALA 203 Ca -0.02 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.40 2pwg n ALA 203 Cb 0.20 -1.45 0.22 0.00 0.00 0.00 0.00 19.45 18.42 2pwg n ALA 203 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2pwg n THR 204 N -1.36 0.08 -0.32 0.00 -2.24 -1.10 -4.21 114.28 105.12 2pwg n THR 204 Ca 0.11 -0.47 0.09 0.00 -2.27 0.00 0.00 64.05 61.50 2pwg n THR 204 Cb 0.29 1.16 0.26 0.00 -2.10 0.00 0.00 70.33 69.94 2pwg n THR 204 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2pwg h TYR 205 N 4.06 0.90 -3.35 4.78 0.05 -1.76 -3.40 116.97 118.25 2pwg h TYR 205 Ca 0.00 0.03 -0.58 0.00 0.05 0.00 0.00 58.73 58.23 2pwg h TYR 205 Cb 0.87 -0.26 -0.09 0.00 1.01 0.00 0.00 36.73 38.26 2pwg h TYR 205 CO 0.04 0.23 -0.13 0.45 -1.05 0.00 0.00 178.16 177.69 2pwg s SER 206 N -5.45 6.64 0.15 3.88 0.15 -1.26 -4.50 113.70 113.32 2pwg s SER 206 Ca -0.12 0.76 -0.02 0.00 0.70 0.00 0.00 55.95 57.28 2pwg s SER 206 Cb 0.23 -2.28 -0.05 0.00 -1.71 0.00 0.00 66.02 62.21 2pwg s SER 206 CO 0.79 -0.03 0.35 -0.54 1.20 0.00 0.00 173.24 175.01 2pwg s LYS 207 N 0.82 3.54 -0.17 5.44 3.01 -1.26 -3.34 119.74 127.77 2pwg s LYS 207 Ca 0.25 -0.28 -0.29 0.00 -1.01 0.00 0.00 55.97 54.64 2pwg s LYS 207 Cb -0.15 -2.88 -0.01 0.00 -1.01 0.00 0.00 37.83 33.77 2pwg s LYS 207 CO 0.10 0.47 1.25 0.99 0.51 0.00 0.00 175.35 178.66 2pwg s THR 208 N -1.73 4.31 0.22 2.17 2.01 -1.26 -4.51 115.64 116.85 2pwg s THR 208 Ca 0.39 1.58 -0.32 0.00 0.31 0.00 0.00 61.69 63.65 2pwg s THR 208 Cb -0.12 -4.03 -0.12 0.00 0.01 0.00 0.00 72.50 68.24 2pwg s THR 208 CO 0.27 -0.15 1.68 -0.81 -0.69 0.00 0.00 174.62 174.92 2pwg n PRO 209 N 6.60 2.66 0.00 4.92 -0.04 -1.26 -1.79 135.00 146.09 2pwg n PRO 209 Ca 0.14 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.55 2pwg n PRO 209 Cb 0.45 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 2pwg n PRO 209 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pwg n GLY 210 N 3.56 3.34 3.92 0.55 0.00 -1.26 -4.59 105.19 110.71 2pwg n GLY 210 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 2pwg n GLY 210 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pwg n PHE 211 N -1.64 -1.76 -1.12 1.61 3.72 -0.74 -4.92 117.46 112.61 2pwg n PHE 211 Ca 0.00 0.78 -0.31 0.00 -0.05 0.00 0.00 57.45 57.87 2pwg n PHE 211 Cb 0.00 -3.84 0.12 0.00 -0.94 0.00 0.00 39.48 34.82 2pwg n PHE 211 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2pwg s PRO 212 N -6.46 1.82 0.58 -1.08 0.04 -1.26 -4.74 135.00 123.90 2pwg s PRO 212 Ca 0.11 1.20 -0.20 0.00 0.04 0.00 0.00 61.00 62.15 2pwg s PRO 212 Cb -0.06 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 2pwg s PRO 212 CO 0.87 -1.96 1.28 -0.51 0.04 0.00 0.00 177.00 176.72 2pwg s ASP 213 N -3.23 5.13 0.33 6.66 1.01 -1.26 -4.89 116.67 120.42 2pwg s ASP 213 Ca 0.63 2.57 -0.27 0.00 0.71 0.00 0.00 52.55 56.19 2pwg s ASP 213 Cb -0.19 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.04 2pwg s ASP 213 CO 0.57 -1.65 1.05 -0.76 0.21 0.00 0.00 175.17 174.59 2pwg s LEU 214 N -3.88 4.37 0.82 1.23 1.43 -1.26 -5.01 118.68 116.37 2pwg s LEU 214 Ca 0.76 2.10 -0.12 0.00 -1.03 0.00 0.00 54.13 55.84 2pwg s LEU 214 Cb -0.36 -3.90 0.08 0.00 0.03 0.00 0.00 46.19 42.05 2pwg s LEU 214 CO 0.40 -0.25 1.10 0.42 0.23 0.00 0.00 176.35 178.25 2pwg s THR 215 N -1.41 2.91 0.25 5.49 -4.23 -1.26 -4.71 115.64 112.67 2pwg s THR 215 Ca 0.50 0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 61.27 2pwg s THR 215 Cb -0.26 -3.04 0.22 0.00 1.34 0.00 0.00 72.50 70.76 2pwg s THR 215 CO 0.33 -0.39 1.77 -0.65 -0.54 0.00 0.00 174.62 175.14 2pwg h PRO 216 N -1.16 0.61 -0.09 3.99 0.11 -1.99 0.32 132.00 133.79 2pwg h PRO 216 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2pwg h PRO 216 Cb 1.28 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2pwg h PRO 216 CO 0.60 0.40 0.03 0.93 -0.21 0.00 0.00 178.00 179.75 2pwg h GLU 217 N 0.63 0.15 -0.85 1.05 3.07 -2.01 -2.69 114.58 113.92 2pwg h GLU 217 Ca 0.41 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.29 2pwg h GLU 217 Cb 0.52 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.35 2pwg h GLU 217 CO -0.32 0.30 0.56 1.96 -1.40 0.00 0.00 179.01 180.10 2pwg h GLN 218 N -0.03 0.98 -0.20 2.33 4.20 -1.73 -0.80 115.11 119.86 2pwg h GLN 218 Ca 0.03 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.71 2pwg h GLN 218 Cb 0.21 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2pwg h GLN 218 CO -0.00 0.65 0.14 1.98 -0.67 0.00 0.00 178.83 180.93 2pwg h MET 219 N 1.01 0.14 0.00 1.46 4.05 -0.08 -1.24 114.93 120.27 2pwg h MET 219 Ca 0.35 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.76 2pwg h MET 219 Cb 0.10 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 2pwg h MET 219 CO -0.11 0.09 0.00 0.87 0.23 0.00 0.00 176.91 177.99 2pwg h LYS 220 N 0.15 0.00 -0.57 0.39 1.57 -0.92 -3.19 116.57 114.00 2pwg h LYS 220 Ca 0.09 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.56 2pwg h LYS 220 Cb 0.17 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.26 2pwg h LYS 220 CO -0.01 0.00 -0.66 -1.71 -0.57 0.00 0.00 179.45 176.50 2pwg n ASN 221 N -2.92 -1.49 -0.06 0.86 2.85 -0.65 -4.98 115.26 108.87 2pwg n ASN 221 Ca -0.02 -3.48 0.24 0.00 -0.11 0.00 0.00 54.58 51.21 2pwg n ASN 221 Cb 0.13 1.20 0.72 0.00 1.24 0.00 0.00 39.78 43.07 2pwg n ASN 221 CO 0.00 0.00 0.00 2.19 -2.11 0.00 0.00 177.26 177.34 2pwg h PHE 222 N 3.08 0.00 -0.99 1.20 -5.15 -1.25 -1.26 116.94 112.57 2pwg h PHE 222 Ca -0.05 0.00 0.17 0.00 -0.20 0.00 0.00 57.97 57.89 2pwg h PHE 222 Cb 1.06 0.00 -0.09 0.00 0.22 0.00 0.00 35.95 37.13 2pwg h PHE 222 CO 0.35 0.00 0.62 0.00 -2.00 0.00 0.00 178.31 177.27 2pwg h ALA 223 N 1.58 1.68 -0.60 12.09 0.00 -1.90 -0.97 119.26 131.14 2pwg h ALA 223 Ca 0.32 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 2pwg h ALA 223 Cb 1.37 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2pwg h ALA 223 CO -0.00 -0.01 0.17 1.49 0.00 0.00 0.00 179.25 180.91 2pwg h GLU 224 N 0.80 0.95 -0.11 0.00 4.81 -1.24 -2.59 114.58 117.20 2pwg h GLU 224 Ca 0.54 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 2pwg h GLU 224 Cb 0.79 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2pwg h GLU 224 CO -0.32 0.85 -0.21 0.00 -0.73 0.00 0.00 179.01 178.61 2pwg h ALA 225 N 1.05 1.45 0.00 2.92 0.00 -1.32 -1.87 119.26 121.50 2pwg h ALA 225 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2pwg h ALA 225 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2pwg h ALA 225 CO -0.00 0.39 0.00 0.66 0.00 0.00 0.00 179.25 180.29 2pwg n TYR 226 N -4.22 0.00 0.02 0.00 4.01 -0.88 -2.25 117.16 113.84 2pwg n TYR 226 Ca -0.01 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.84 2pwg n TYR 226 Cb 0.31 -0.46 0.24 0.00 -0.31 0.00 0.00 39.34 39.12 2pwg n TYR 226 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2pwg n THR 227 N -1.46 0.71 -0.88 -0.72 -2.24 -0.70 -4.27 114.28 104.72 2pwg n THR 227 Ca 0.05 -0.86 0.07 0.00 -2.27 0.00 0.00 64.05 61.04 2pwg n THR 227 Cb 0.18 0.77 0.40 0.00 -2.10 0.00 0.00 70.33 69.59 2pwg n THR 227 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pwg n GLN 228 N 1.38 4.82 -1.61 -0.78 1.13 -0.95 -4.88 117.38 116.49 2pwg n GLN 228 Ca 0.19 -3.14 -0.46 0.00 -1.94 0.00 0.00 57.00 51.65 2pwg n GLN 228 Cb 0.57 -2.24 -0.03 0.00 0.11 0.00 0.00 30.24 28.66 2pwg n GLN 228 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pwg n GLY 229 N 0.68 0.12 0.06 1.08 0.00 -1.21 -4.85 105.19 101.07 2pwg n GLY 229 Ca 0.28 0.45 0.11 0.00 0.00 0.00 0.00 46.02 46.86 2pwg n GLY 229 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pwg n PRO 230 N 1.45 0.11 -0.17 1.61 -0.04 -1.26 -3.24 135.00 133.46 2pwg n PRO 230 Ca 0.12 0.25 0.07 0.00 -0.04 0.00 0.00 63.50 63.91 2pwg n PRO 230 Cb 0.29 -1.68 0.16 0.00 -0.04 0.00 0.00 33.50 32.23 2pwg n PRO 230 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2pwg n ASN 231 N -1.89 2.93 -0.07 3.54 3.02 -1.26 -4.80 115.26 116.72 2pwg n ASN 231 Ca 0.04 -1.90 -0.13 0.00 -0.03 0.00 0.00 54.58 52.57 2pwg n ASN 231 Cb 0.27 -0.22 -0.09 0.00 -0.61 0.00 0.00 39.78 39.13 2pwg n ASN 231 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2pwg h LEU 232 N 2.62 -1.58 -1.30 3.41 5.85 -1.90 -0.44 115.31 121.97 2pwg h LEU 232 Ca 0.00 0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 2pwg h LEU 232 Cb 0.74 0.63 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 2pwg h LEU 232 CO 0.00 -0.39 -0.33 0.45 -0.34 0.00 0.00 178.44 177.83 2pwg h HIS 233 N -0.42 0.03 -0.36 1.25 3.86 -1.87 -0.08 115.15 117.56 2pwg h HIS 233 Ca 0.05 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2pwg h HIS 233 Cb 0.55 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 2pwg h HIS 233 CO -0.65 0.36 0.21 -0.09 0.86 0.00 0.00 177.93 178.63 2pwg h ARG 234 N 0.03 0.49 -0.12 2.45 2.43 -1.76 0.85 114.38 118.74 2pwg h ARG 234 Ca 0.00 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2pwg h ARG 234 Cb 0.60 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2pwg h ARG 234 CO 0.04 0.37 -0.02 1.88 -1.51 0.00 0.00 179.97 180.74 2pwg h TYR 235 N 0.46 0.24 -0.99 2.20 0.05 -0.27 -1.75 116.97 116.92 2pwg h TYR 235 Ca 0.13 -0.05 0.09 0.00 0.05 0.00 0.00 58.73 58.95 2pwg h TYR 235 Cb 0.01 -0.06 -0.07 0.00 1.01 0.00 0.00 36.73 37.62 2pwg h TYR 235 CO -0.04 0.50 0.63 -0.07 -1.05 0.00 0.00 178.16 178.13 2pwg h LEU 236 N -0.09 0.97 -0.95 3.88 3.38 -0.86 -1.03 115.31 120.62 2pwg h LEU 236 Ca 0.03 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2pwg h LEU 236 Cb 0.41 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2pwg h LEU 236 CO 0.01 0.58 -0.20 1.56 0.09 0.00 0.00 178.44 180.48 2pwg h GLN 237 N 1.08 0.54 -0.36 1.13 4.20 -0.67 -2.38 115.11 118.65 2pwg h GLN 237 Ca 0.45 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.88 2pwg h GLN 237 Cb 0.29 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2pwg h GLN 237 CO -0.21 0.71 -0.13 1.49 -0.67 0.00 0.00 178.83 180.03 2pwg h GLU 238 N 0.49 0.72 -0.73 1.46 4.81 -0.30 -1.50 114.58 119.52 2pwg h GLU 238 Ca 0.08 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 2pwg h GLU 238 Cb 0.61 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 2pwg h GLU 238 CO 0.04 0.89 0.40 1.98 -0.73 0.00 0.00 179.01 181.60 2pwg h MET 239 N 0.51 1.01 -0.37 1.92 4.05 -1.12 0.22 114.93 121.15 2pwg h MET 239 Ca 0.09 -0.11 -0.12 0.00 -0.28 0.00 0.00 59.70 59.28 2pwg h MET 239 Cb 0.65 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 2pwg h MET 239 CO 0.04 0.74 -0.23 1.25 0.23 0.00 0.00 176.91 178.94 2pwg h HIS 240 N 1.02 0.96 -0.25 1.39 -0.00 -1.26 -0.43 115.15 116.57 2pwg h HIS 240 Ca 0.26 -0.25 -0.16 0.00 -0.00 0.00 0.00 60.37 60.22 2pwg h HIS 240 Cb 0.02 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 2pwg h HIS 240 CO 0.01 1.02 -0.48 1.49 -0.00 0.00 0.00 177.93 179.96 2pwg h GLU 241 N 0.62 0.67 0.00 5.26 4.22 -0.80 0.98 114.58 125.52 2pwg h GLU 241 Ca 0.08 -0.39 -0.06 0.00 0.08 0.00 0.00 59.36 59.07 2pwg h GLU 241 Cb 0.80 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2pwg h GLU 241 CO 0.07 1.01 -0.81 0.87 -2.18 0.00 0.00 179.01 177.96 2pwg h LYS 242 N 0.53 0.00 0.00 1.92 1.57 -0.52 -3.41 116.57 116.67 2pwg h LYS 242 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2pwg h LYS 242 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2pwg h LYS 242 CO 0.10 0.15 0.00 0.28 -0.57 0.00 0.00 179.45 179.41 2pwg n VAL 243 N -2.91 0.00 0.11 0.50 0.31 -0.18 -4.85 118.33 111.31 2pwg n VAL 243 Ca -0.01 0.01 0.20 0.00 -0.01 0.00 0.00 64.34 64.53 2pwg n VAL 243 Cb 0.64 -0.73 0.76 0.00 -0.91 0.00 0.00 33.84 33.60 2pwg n VAL 243 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2pwg h PHE 244 N 0.00 0.00 0.00 3.52 0.04 -1.57 0.36 116.94 119.29 2pwg h PHE 244 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2pwg h PHE 244 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2pwg h PHE 244 CO 0.00 0.00 -0.03 0.22 -0.60 0.00 0.00 178.31 177.90 2pwg h ASP 245 N 0.00 0.00 -0.38 2.17 3.58 -1.03 -2.29 116.42 118.47 2pwg h ASP 245 Ca 0.18 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2pwg h ASP 245 Cb 0.98 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2pwg h ASP 245 CO -0.00 0.03 0.00 1.41 -2.88 0.00 0.00 179.24 177.79 2pwg n HIS 246 N -3.79 0.48 -4.48 0.28 8.25 0.13 -4.96 115.22 111.13 2pwg n HIS 246 Ca -0.03 -0.27 -0.25 0.00 -0.26 0.00 0.00 57.72 56.91 2pwg n HIS 246 Cb 0.11 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.14 2pwg n HIS 246 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2pwg s TYR 247 N -1.36 1.77 -0.37 4.41 1.51 -0.86 -5.06 117.35 117.39 2pwg s TYR 247 Ca 0.36 -1.38 0.11 0.00 -1.01 0.00 0.00 57.07 55.15 2pwg s TYR 247 Cb 0.21 -1.07 0.45 0.00 -0.11 0.00 0.00 41.96 41.43 2pwg s TYR 247 CO 0.29 -0.42 1.06 -0.40 -1.11 0.00 0.00 175.55 174.97 2pwg n ASP 248 N -1.41 3.31 -4.89 2.29 5.75 -1.26 -4.93 116.55 115.42 2pwg n ASP 248 Ca -0.04 -3.22 -0.33 0.00 -0.01 0.00 0.00 54.79 51.19 2pwg n ASP 248 Cb 0.64 -0.47 -0.05 0.00 -1.03 0.00 0.00 41.12 40.21 2pwg n ASP 248 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pwg s ALA 249 N -3.42 3.78 0.14 2.12 0.00 -1.26 -4.99 121.76 118.13 2pwg s ALA 249 Ca 0.39 -0.51 -0.24 0.00 0.00 0.00 0.00 51.96 51.61 2pwg s ALA 249 Cb 0.42 -2.16 -0.08 0.00 0.00 0.00 0.00 23.12 21.30 2pwg s ALA 249 CO -0.07 0.63 0.72 0.54 0.00 0.00 0.00 175.76 177.59 2pwg s VAL 250 N -1.51 4.47 0.01 0.00 0.11 -0.21 -4.93 120.40 118.35 2pwg s VAL 250 Ca 0.36 1.58 0.03 0.00 -2.93 0.00 0.00 61.98 61.02 2pwg s VAL 250 Cb -0.13 -4.08 -0.03 0.00 -1.53 0.00 0.00 36.38 30.61 2pwg s VAL 250 CO 0.21 0.53 -0.05 0.42 -3.33 0.00 0.00 175.10 172.88 2pwg s THR 251 N -1.11 3.79 -0.00 5.04 -4.23 -1.26 -1.49 115.64 116.38 2pwg s THR 251 Ca 0.34 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 60.09 2pwg s THR 251 Cb -0.22 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 70.94 2pwg s THR 251 CO 0.24 0.36 -0.02 0.00 -0.54 0.00 0.00 174.62 174.67 2pwg s ALA 252 N -1.05 0.15 -0.07 3.99 0.00 -0.08 -1.34 121.76 123.36 2pwg s ALA 252 Ca 0.18 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.13 2pwg s ALA 252 Cb -0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 2pwg s ALA 252 CO 0.09 0.03 -0.20 0.20 0.00 0.00 0.00 175.76 175.88 2pwg s GLY 253 N 0.03 1.40 -0.56 0.00 0.00 -0.25 0.40 107.32 108.34 2pwg s GLY 253 Ca 0.00 -1.00 -0.21 0.00 0.00 0.00 0.00 44.72 43.52 2pwg s GLY 253 CO -0.00 -0.56 0.77 1.85 0.00 0.00 0.00 173.10 175.16 2pwg s GLU 254 N -0.15 3.15 -1.05 2.90 2.12 -0.39 -1.32 118.70 123.96 2pwg s GLU 254 Ca -0.03 -0.83 -0.16 0.00 0.36 0.00 0.00 54.97 54.32 2pwg s GLU 254 Cb -0.14 -4.15 0.16 0.00 0.26 0.00 0.00 34.13 30.27 2pwg s GLU 254 CO 0.04 -1.45 1.23 0.42 -0.54 0.00 0.00 175.26 174.95 2pwg s ILE 255 N 3.20 4.99 -0.28 -3.70 1.01 -0.65 -1.41 121.20 124.35 2pwg s ILE 255 Ca 0.19 -2.19 -0.17 0.00 0.00 0.00 0.00 60.65 58.48 2pwg s ILE 255 Cb -0.18 -4.80 -0.03 0.00 0.01 0.00 0.00 42.46 37.46 2pwg s ILE 255 CO 0.12 -1.51 0.47 0.12 0.00 0.00 0.00 174.94 174.14 2pwg s PHE 256 N 1.82 3.24 0.00 3.97 5.36 -1.26 -4.27 117.98 126.84 2pwg s PHE 256 Ca 0.36 0.46 0.00 0.00 -0.96 0.00 0.00 56.93 56.78 2pwg s PHE 256 Cb -0.05 -2.72 0.00 0.00 -0.34 0.00 0.00 43.02 39.92 2pwg s PHE 256 CO -0.05 -0.32 0.00 0.41 -1.46 0.00 0.00 175.22 173.79 2pwg n GLY 257 N 4.58 1.03 3.81 13.12 0.00 -1.26 -4.80 105.19 121.68 2pwg n GLY 257 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2pwg n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwg s ALA 258 N -2.34 3.45 0.47 4.61 0.00 -1.26 -3.43 121.76 123.25 2pwg s ALA 258 Ca 0.00 0.15 -0.24 0.00 0.00 0.00 0.00 51.96 51.86 2pwg s ALA 258 Cb 0.00 -2.79 -0.07 0.00 0.00 0.00 0.00 23.12 20.26 2pwg s ALA 258 CO 0.00 0.34 1.36 -2.14 0.00 0.00 0.00 175.76 175.32 2pwg s PRO 259 N -1.83 3.60 0.35 0.00 0.02 -1.26 -4.88 135.00 131.00 2pwg s PRO 259 Ca 0.41 2.26 0.09 0.00 0.02 0.00 0.00 61.00 63.77 2pwg s PRO 259 Cb -0.17 -2.54 0.81 0.00 0.02 0.00 0.00 34.50 32.62 2pwg s PRO 259 CO 0.21 -0.83 1.84 1.25 -0.33 0.00 0.00 177.00 179.14 2pwg h LEU 260 N 2.13 0.68 -0.35 -5.54 5.85 -1.99 -1.07 115.31 115.02 2pwg h LEU 260 Ca -0.50 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2pwg h LEU 260 Cb 1.27 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2pwg h LEU 260 CO 0.60 0.31 0.00 -0.46 -0.34 0.00 0.00 178.44 178.56 2pwg n ASN 261 N -4.60 0.17 0.11 1.25 0.23 -1.26 -1.23 115.26 109.92 2pwg n ASN 261 Ca 0.19 0.57 0.07 0.00 -0.53 0.00 0.00 54.58 54.88 2pwg n ASN 261 Cb 0.51 -0.59 0.01 0.00 -2.08 0.00 0.00 39.78 37.63 2pwg n ASN 261 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 2pwg h GLN 262 N 0.00 0.00 -0.80 -3.83 1.08 -1.54 -3.39 115.11 106.63 2pwg h GLN 262 Ca 0.00 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.39 2pwg h GLN 262 Cb 0.08 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.37 2pwg h GLN 262 CO 0.00 0.15 0.05 0.28 -0.95 0.00 0.00 178.83 178.37 2pwg h VAL 263 N 0.00 0.32 -0.80 -0.54 2.07 -1.28 -1.33 116.25 114.70 2pwg h VAL 263 Ca -0.04 -0.04 0.21 0.00 0.82 0.00 0.00 66.70 67.65 2pwg h VAL 263 Cb 1.22 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2pwg h VAL 263 CO 0.02 0.02 0.56 -0.65 0.02 0.00 0.00 177.57 177.54 2pwg h PRO 264 N 0.12 0.12 0.00 1.57 0.11 -1.78 0.20 132.00 132.34 2pwg h PRO 264 Ca 0.45 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.53 2pwg h PRO 264 Cb 0.83 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 2pwg h PRO 264 CO -0.68 0.08 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.00 2pwg h LEU 265 N 0.12 0.00 0.05 2.35 3.38 -1.55 -1.50 115.31 118.17 2pwg h LEU 265 Ca 0.39 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.07 2pwg h LEU 265 Cb 1.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 2pwg h LEU 265 CO -0.05 0.12 -1.52 -0.26 0.09 0.00 0.00 178.44 176.81 2pwg h PHE 266 N 0.00 0.19 -0.00 1.13 -1.00 -1.08 -3.42 116.94 112.75 2pwg h PHE 266 Ca -0.00 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 60.64 2pwg h PHE 266 Cb 0.21 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.77 2pwg h PHE 266 CO 0.00 1.19 -0.33 0.44 -1.61 0.00 0.00 178.31 178.00 2pwg n ILE 267 N -3.28 0.00 -1.67 -0.55 -5.35 -1.09 -0.36 119.36 107.06 2pwg n ILE 267 Ca -0.14 -0.33 -0.44 0.00 -0.27 0.00 0.00 62.75 61.57 2pwg n ILE 267 Cb 1.03 1.00 -0.03 0.00 -1.74 0.00 0.00 39.64 39.89 2pwg n ILE 267 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2pwg n ASP 268 N -1.14 3.98 -0.08 7.28 -0.08 -0.58 -4.36 116.55 121.57 2pwg n ASP 268 Ca 0.01 0.93 0.17 0.00 -1.51 0.00 0.00 54.79 54.39 2pwg n ASP 268 Cb 0.11 -1.49 0.59 0.00 2.34 0.00 0.00 41.12 42.67 2pwg n ASP 268 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2pwg h SER 269 N 10.04 0.21 0.57 1.67 4.64 -1.51 -1.67 113.55 127.50 2pwg h SER 269 Ca -0.49 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 60.80 2pwg h SER 269 Cb 1.25 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2pwg h SER 269 CO 0.94 0.11 -0.18 0.03 -0.87 0.00 0.00 176.83 176.87 2pwg h ARG 270 N 0.23 0.00 0.00 4.77 3.08 -1.88 -2.57 114.38 118.01 2pwg h ARG 270 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2pwg h ARG 270 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2pwg h ARG 270 CO -0.06 0.18 -0.03 0.54 -1.07 0.00 0.00 179.97 179.52 2pwg n ARG 271 N -3.57 0.12 -3.67 0.04 1.74 -0.63 -4.96 116.66 105.73 2pwg n ARG 271 Ca -0.01 0.09 -0.27 0.00 -0.77 0.00 0.00 57.85 56.89 2pwg n ARG 271 Cb 0.32 -1.63 0.04 0.00 -1.02 0.00 0.00 32.46 30.17 2pwg n ARG 271 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2pwg n LYS 272 N -1.83 -2.28 0.00 5.56 5.02 -0.97 -4.92 118.16 118.73 2pwg n LYS 272 Ca 0.06 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 2pwg n LYS 272 Cb 0.38 -4.56 0.00 0.00 -0.02 0.00 0.00 35.03 30.83 2pwg n LYS 272 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2pwg n GLU 273 N -4.12 0.00 -4.48 1.97 1.02 -1.26 -4.61 120.64 109.16 2pwg n GLU 273 Ca -0.16 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.74 2pwg n GLU 273 Cb 0.62 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.94 2pwg n GLU 273 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pwg s LEU 274 N -0.47 2.67 -0.15 -4.62 1.43 0.52 -4.83 118.68 113.23 2pwg s LEU 274 Ca 0.00 -1.05 -0.16 0.00 -1.03 0.00 0.00 54.13 51.88 2pwg s LEU 274 Cb 0.00 -1.11 -0.24 0.00 0.03 0.00 0.00 46.19 44.87 2pwg s LEU 274 CO 0.00 -0.04 0.40 0.44 0.23 0.00 0.00 176.35 177.38 2pwg h ASP 275 N 2.17 0.23 -4.05 2.29 3.32 -1.63 -3.37 116.42 115.38 2pwg h ASP 275 Ca -0.41 -0.76 -0.51 0.00 0.02 0.00 0.00 57.03 55.38 2pwg h ASP 275 Cb 1.26 -0.08 -0.20 0.00 0.22 0.00 0.00 39.33 40.53 2pwg h ASP 275 CO 0.63 1.60 -0.80 -0.04 -1.72 0.00 0.00 179.24 178.91 2pwg s MET 276 N -2.44 1.10 -0.01 3.56 -1.94 -0.45 -3.98 119.30 115.14 2pwg s MET 276 Ca -0.24 -1.21 0.02 0.00 -1.71 0.00 0.00 55.69 52.56 2pwg s MET 276 Cb 0.05 -1.23 -0.03 0.00 2.01 0.00 0.00 34.83 35.63 2pwg s MET 276 CO 0.70 0.27 -0.06 0.00 -0.01 0.00 0.00 175.02 175.92 2pwg s ALA 277 N -1.54 3.05 -0.28 3.03 0.00 -0.97 -1.09 121.76 123.96 2pwg s ALA 277 Ca 0.08 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.09 2pwg s ALA 277 Cb -0.08 -1.19 0.07 0.00 0.00 0.00 0.00 23.12 21.92 2pwg s ALA 277 CO 0.04 0.61 -0.06 -0.06 0.00 0.00 0.00 175.76 176.29 2pwg s PHE 278 N -0.96 3.34 0.40 0.00 0.08 -0.44 -1.32 117.98 119.07 2pwg s PHE 278 Ca 0.16 -2.47 0.08 0.00 0.12 0.00 0.00 56.93 54.82 2pwg s PHE 278 Cb -0.11 -2.17 -0.03 0.00 -0.57 0.00 0.00 43.02 40.14 2pwg s PHE 278 CO 0.06 -0.89 0.30 0.95 -0.10 0.00 0.00 175.22 175.54 2pwg s THR 279 N 1.07 2.72 -1.11 0.64 -4.23 -1.26 -1.64 115.64 111.83 2pwg s THR 279 Ca -0.03 -1.47 0.12 0.00 -1.18 0.00 0.00 61.69 59.13 2pwg s THR 279 Cb -0.20 -3.02 -0.00 0.00 1.34 0.00 0.00 72.50 70.62 2pwg s THR 279 CO -0.06 -0.04 0.71 0.49 -0.54 0.00 0.00 174.62 175.18 2pwg n PHE 280 N -1.41 0.00 -0.19 3.99 3.01 -1.26 -4.68 117.46 116.91 2pwg n PHE 280 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2pwg n PHE 280 Cb 0.62 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 40.19 2pwg n PHE 280 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2pwg h ASP 281 N 1.37 -0.18 0.15 4.37 5.19 -1.94 -1.06 116.42 124.31 2pwg h ASP 281 Ca 0.00 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 2pwg h ASP 281 Cb 0.41 0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.15 2pwg h ASP 281 CO 0.00 -0.07 -0.07 0.25 -3.12 0.00 0.00 179.24 176.23 2pwg h LEU 282 N 0.15 -0.17 -2.47 1.55 5.85 -1.92 -2.11 115.31 116.20 2pwg h LEU 282 Ca 0.31 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2pwg h LEU 282 Cb 0.48 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 2pwg h LEU 282 CO -0.47 0.42 -0.02 -0.29 -0.34 0.00 0.00 178.44 177.74 2pwg h ILE 283 N -0.91 0.20 -0.24 4.05 2.10 -1.84 -0.53 117.51 120.34 2pwg h ILE 283 Ca -0.02 -0.18 -0.03 0.00 1.08 0.00 0.00 64.86 65.71 2pwg h ILE 283 Cb 0.51 1.14 -0.02 0.00 -1.09 0.00 0.00 36.82 37.37 2pwg h ILE 283 CO 0.03 0.02 -0.01 0.54 -1.08 0.00 0.00 178.15 177.66 2pwg n ARG 284 N -3.32 2.57 0.32 2.19 5.12 -0.41 -4.69 116.66 118.45 2pwg n ARG 284 Ca -0.02 -2.86 0.21 0.00 -1.93 0.00 0.00 57.85 53.24 2pwg n ARG 284 Cb 0.14 -1.80 1.07 0.00 -1.16 0.00 0.00 32.46 30.70 2pwg n ARG 284 CO 0.00 0.00 0.00 0.10 -1.93 0.00 0.00 177.63 175.80 2pwg h TYR 285 N 1.47 0.00 -0.20 -1.55 -0.00 -0.36 -2.09 116.97 114.24 2pwg h TYR 285 Ca 0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 58.73 58.68 2pwg h TYR 285 Cb 1.43 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 38.11 2pwg h TYR 285 CO 0.51 0.01 -0.14 -0.40 -0.00 0.00 0.00 178.16 178.14 2pwg n ASP 286 N -3.15 2.55 -4.67 0.10 5.75 -1.26 -4.97 116.55 110.90 2pwg n ASP 286 Ca -0.02 -3.55 -0.35 0.00 -0.01 0.00 0.00 54.79 50.86 2pwg n ASP 286 Cb 0.13 -0.56 -0.10 0.00 -1.03 0.00 0.00 41.12 39.56 2pwg n ASP 286 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2pwg s ARG 287 N -3.11 2.96 0.81 0.11 6.06 -0.79 -0.49 118.95 124.50 2pwg s ARG 287 Ca 0.41 -0.43 -0.11 0.00 -2.50 0.00 0.00 55.73 53.10 2pwg s ARG 287 Cb 0.37 -2.76 0.08 0.00 0.06 0.00 0.00 34.95 32.69 2pwg s ARG 287 CO 0.00 0.69 1.09 0.00 -2.50 0.00 0.00 175.30 174.59 2pwg s ALA 288 N -0.85 2.09 0.42 6.12 0.00 -0.39 -4.85 121.76 124.30 2pwg s ALA 288 Ca 0.13 -0.08 0.11 0.00 0.00 0.00 0.00 51.96 52.11 2pwg s ALA 288 Cb -0.11 -3.16 0.94 0.00 0.00 0.00 0.00 23.12 20.79 2pwg s ALA 288 CO 0.02 -1.86 2.01 -0.07 0.00 0.00 0.00 175.76 175.86 2pwg h LEU 289 N -1.19 0.43 0.00 0.00 3.38 -1.95 -0.40 115.31 115.58 2pwg h LEU 289 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2pwg h LEU 289 Cb 1.26 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2pwg h LEU 289 CO 0.57 0.28 0.00 -0.90 0.09 0.00 0.00 178.44 178.48 2pwg n ASP 290 N -4.47 0.00 0.00 -0.43 5.68 -1.26 -4.90 116.55 111.16 2pwg n ASP 290 Ca 0.07 0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.65 2pwg n ASP 290 Cb 0.24 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 2pwg n ASP 290 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2pwg n ARG 291 N -1.41 -0.39 0.00 0.11 1.74 -0.16 -4.78 116.66 111.77 2pwg n ARG 291 Ca 0.07 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2pwg n ARG 291 Cb 0.21 -3.62 0.00 0.00 -1.02 0.00 0.00 32.46 28.02 2pwg n ARG 291 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2pwg n TRP 292 N -2.23 0.00 -4.18 -1.55 4.27 -1.26 -4.92 117.44 107.57 2pwg n TRP 292 Ca 0.00 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.39 2pwg n TRP 292 Cb 0.10 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 29.99 2pwg n TRP 292 CO 0.00 0.00 0.00 -1.01 -2.29 0.00 0.00 177.69 174.39 2pwg s HIS 293 N -0.31 2.93 0.37 -2.67 3.76 -1.26 -3.74 115.29 114.37 2pwg s HIS 293 Ca 0.00 -0.17 0.08 0.00 -0.15 0.00 0.00 55.06 54.82 2pwg s HIS 293 Cb 0.00 -1.33 -0.05 0.00 1.11 0.00 0.00 32.58 32.31 2pwg s HIS 293 CO 0.00 0.55 0.16 0.95 -0.85 0.00 0.00 174.74 175.55 2pwg s THR 294 N -2.22 2.67 -0.04 1.30 -4.23 -1.26 -1.27 115.64 110.59 2pwg s THR 294 Ca 0.33 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 2pwg s THR 294 Cb -0.07 -2.97 0.03 0.00 1.34 0.00 0.00 72.50 70.83 2pwg s THR 294 CO 0.23 -0.10 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.57 2pwg s ILE 295 N -2.51 0.28 0.30 2.99 1.01 0.36 -4.69 121.20 118.94 2pwg s ILE 295 Ca 0.40 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.81 2pwg s ILE 295 Cb 0.00 -0.38 -0.11 0.00 0.01 0.00 0.00 42.46 41.98 2pwg s ILE 295 CO 0.23 0.19 1.53 -2.16 0.00 0.00 0.00 174.94 174.72 2pwg s PRO 296 N 1.22 4.16 0.30 2.79 0.04 -1.26 -4.65 135.00 137.60 2pwg s PRO 296 Ca -0.07 2.50 0.03 0.00 0.04 0.00 0.00 61.00 63.50 2pwg s PRO 296 Cb -0.13 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 2pwg s PRO 296 CO -0.02 -0.55 0.15 1.03 0.04 0.00 0.00 177.00 177.65 2pwg s ARG 297 N -0.84 1.58 0.47 4.56 1.81 -1.26 -5.07 118.95 120.20 2pwg s ARG 297 Ca 0.60 -1.90 0.02 0.00 -1.72 0.00 0.00 55.73 52.73 2pwg s ARG 297 Cb -0.46 -0.15 -0.01 0.00 -0.45 0.00 0.00 34.95 33.87 2pwg s ARG 297 CO 0.50 -0.42 0.08 0.95 -0.68 0.00 0.00 175.30 175.73 2pwg s THR 298 N -3.61 0.76 0.47 0.02 -4.23 -1.26 -5.01 115.64 102.78 2pwg s THR 298 Ca 0.35 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.98 2pwg s THR 298 Cb 0.05 -2.18 0.26 0.00 1.34 0.00 0.00 72.50 71.97 2pwg s THR 298 CO 0.17 0.00 2.09 0.25 -0.54 0.00 0.00 174.62 176.59 2pwg h LEU 299 N 1.53 0.20 -0.67 4.79 5.85 -1.88 -1.50 115.31 123.64 2pwg h LEU 299 Ca -0.39 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.38 2pwg h LEU 299 Cb 1.30 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 2pwg h LEU 299 CO 0.63 0.17 0.38 0.00 -0.34 0.00 0.00 178.44 179.28 2pwg h ALA 300 N 1.87 0.90 -0.49 1.25 0.00 -1.82 0.13 119.26 121.09 2pwg h ALA 300 Ca 0.06 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2pwg h ALA 300 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2pwg h ALA 300 CO -0.01 0.06 -0.13 -0.44 0.00 0.00 0.00 179.25 178.74 2pwg h ASP 301 N 0.70 0.93 0.64 0.00 3.32 -1.62 -1.55 116.42 118.85 2pwg h ASP 301 Ca 0.30 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2pwg h ASP 301 Cb 0.17 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.48 2pwg h ASP 301 CO -0.18 1.06 -0.31 0.15 -1.72 0.00 0.00 179.24 178.24 2pwg h PHE 302 N 0.83 -0.81 -0.40 4.55 3.04 -0.73 -1.68 116.94 121.74 2pwg h PHE 302 Ca 0.13 -0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.95 2pwg h PHE 302 Cb 0.66 0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.43 2pwg h PHE 302 CO 0.04 -0.50 -0.18 0.07 -2.02 0.00 0.00 178.31 175.72 2pwg h ARG 303 N -0.87 0.77 -0.47 1.11 0.11 -0.81 -2.42 114.38 111.80 2pwg h ARG 303 Ca -0.09 -0.29 -0.06 0.00 0.10 0.00 0.00 59.98 59.65 2pwg h ARG 303 Cb 0.67 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.68 2pwg h ARG 303 CO 0.14 0.89 0.06 1.96 0.10 0.00 0.00 179.97 183.13 2pwg h GLN 304 N 0.68 0.74 -0.17 0.08 4.20 -1.24 0.10 115.11 119.51 2pwg h GLN 304 Ca 0.10 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 2pwg h GLN 304 Cb 0.68 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2pwg h GLN 304 CO 0.05 0.71 -0.04 1.15 -0.67 0.00 0.00 178.83 180.03 2pwg h THR 305 N 0.70 1.29 -0.95 -0.54 2.02 -1.16 -1.47 112.91 112.80 2pwg h THR 305 Ca 0.15 -0.99 0.07 0.00 0.77 0.00 0.00 66.41 66.41 2pwg h THR 305 Cb 0.34 1.60 -0.07 0.00 -1.74 0.00 0.00 68.15 68.29 2pwg h THR 305 CO 0.01 0.29 0.62 0.40 0.37 0.00 0.00 175.52 177.21 2pwg h ILE 306 N 0.03 1.05 -0.14 3.11 2.04 -1.11 -0.04 117.51 122.45 2pwg h ILE 306 Ca 0.04 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2pwg h ILE 306 Cb 0.47 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2pwg h ILE 306 CO 0.02 0.20 0.07 0.44 0.00 0.00 0.00 178.15 178.88 2pwg h ASP 307 N 1.07 0.18 -0.68 1.72 3.32 -0.45 0.11 116.42 121.69 2pwg h ASP 307 Ca 0.42 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 2pwg h ASP 307 Cb 0.23 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2pwg h ASP 307 CO -0.17 0.23 0.21 0.11 -1.72 0.00 0.00 179.24 177.90 2pwg h LYS 308 N 0.12 1.08 -0.28 3.56 1.57 -0.55 -1.34 116.57 120.73 2pwg h LYS 308 Ca 0.05 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 2pwg h LYS 308 Cb 0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2pwg h LYS 308 CO -0.01 0.92 -0.02 0.28 -0.57 0.00 0.00 179.45 180.05 2pwg h VAL 309 N 1.04 1.27 -0.73 0.50 2.07 -0.75 -2.31 116.25 117.33 2pwg h VAL 309 Ca 0.23 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 2pwg h VAL 309 Cb 0.30 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2pwg h VAL 309 CO -0.01 0.32 0.39 -0.78 0.02 0.00 0.00 177.57 177.50 2pwg h ASP 310 N 0.29 0.90 -0.46 0.57 3.58 -0.57 -2.90 116.42 117.84 2pwg h ASP 310 Ca 0.08 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2pwg h ASP 310 Cb 0.47 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 2pwg h ASP 310 CO 0.02 0.74 0.21 0.00 -2.88 0.00 0.00 179.24 177.33 2pwg h ALA 311 N 1.41 0.60 0.00 -0.78 0.00 -1.04 -2.79 119.26 116.66 2pwg h ALA 311 Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2pwg h ALA 311 Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2pwg h ALA 311 CO -0.04 0.17 0.00 0.44 0.00 0.00 0.00 179.25 179.82 2pwg n ILE 312 N -4.63 1.14 0.27 0.00 -6.64 -0.89 -1.67 119.36 106.94 2pwg n ILE 312 Ca 0.01 0.39 0.16 0.00 -1.77 0.00 0.00 62.75 61.54 2pwg n ILE 312 Cb 0.12 -1.29 0.64 0.00 -1.44 0.00 0.00 39.64 37.67 2pwg n ILE 312 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2pwg h ALA 313 N 2.23 1.00 -0.47 -1.28 0.00 -1.52 -3.40 119.26 115.82 2pwg h ALA 313 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pwg h ALA 313 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2pwg h ALA 313 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2pwg n GLY 314 N 0.09 0.79 0.10 0.00 0.00 -0.67 0.37 105.19 105.87 2pwg n GLY 314 Ca 0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 46.02 45.24 2pwg n GLY 314 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2pwg h GLU 315 N 0.00 0.00 -0.02 1.61 4.81 -1.93 -3.36 114.58 115.70 2pwg h GLU 315 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2pwg h GLU 315 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2pwg h GLU 315 CO 0.00 0.57 -0.39 0.66 -0.73 0.00 0.00 179.01 179.12 2pwg n TYR 316 N -3.14 0.00 -3.23 0.92 4.01 -1.24 -4.99 117.16 109.49 2pwg n TYR 316 Ca -0.04 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.51 2pwg n TYR 316 Cb 0.86 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.90 2pwg n TYR 316 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2pwg s GLY 317 N -2.25 1.99 -0.15 2.72 0.00 0.16 -1.38 107.32 108.42 2pwg s GLY 317 Ca 0.18 -1.79 -0.12 0.00 0.00 0.00 0.00 44.72 42.98 2pwg s GLY 317 CO 0.50 -1.61 0.38 0.86 0.00 0.00 0.00 173.10 173.22 2pwg s TRP 318 N -2.47 -0.45 0.24 1.90 -0.11 -1.26 -4.75 118.94 112.05 2pwg s TRP 318 Ca 0.53 1.06 0.08 0.00 1.22 0.00 0.00 56.10 58.98 2pwg s TRP 318 Cb -0.07 0.16 -0.04 0.00 -1.50 0.00 0.00 33.47 32.03 2pwg s TRP 318 CO 0.32 -0.23 0.11 -0.80 -4.62 0.00 0.00 176.95 171.73 2pwg s ASN 319 N 0.51 5.13 0.20 5.86 0.01 -1.26 -2.30 114.94 123.10 2pwg s ASN 319 Ca -0.03 -0.38 0.04 0.00 -0.71 0.00 0.00 52.86 51.79 2pwg s ASN 319 Cb -0.04 -1.19 -0.03 0.00 0.41 0.00 0.00 41.25 40.39 2pwg s ASN 319 CO -0.03 -0.00 0.28 0.42 -1.51 0.00 0.00 177.10 176.26 2pwg s THR 320 N -2.13 5.07 -0.01 1.60 -4.23 -0.44 -0.70 115.64 114.80 2pwg s THR 320 Ca 0.32 -0.95 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 2pwg s THR 320 Cb -0.08 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.08 2pwg s THR 320 CO 0.23 -0.22 -0.06 0.12 -0.54 0.00 0.00 174.62 174.15 2pwg s PHE 321 N -1.89 0.63 0.06 3.99 5.36 0.26 -4.74 117.98 121.65 2pwg s PHE 321 Ca 0.34 -0.13 -0.27 0.00 -0.96 0.00 0.00 56.93 55.91 2pwg s PHE 321 Cb -0.10 -0.45 0.07 0.00 -0.34 0.00 0.00 43.02 42.20 2pwg s PHE 321 CO 0.28 -0.05 0.64 -0.59 -1.46 0.00 0.00 175.22 174.03 2pwg s PHE 322 N 0.12 -0.59 -0.48 10.12 -0.71 -1.26 -0.40 117.98 124.77 2pwg s PHE 322 Ca -0.01 0.70 0.06 0.00 -1.04 0.00 0.00 56.93 56.64 2pwg s PHE 322 Cb -0.06 0.49 -0.02 0.00 -1.21 0.00 0.00 43.02 42.23 2pwg s PHE 322 CO -0.00 -0.73 0.43 1.28 -1.34 0.00 0.00 175.22 174.85 2pwg n LEU 323 N 0.23 0.79 -3.58 -1.99 4.77 -1.26 -4.83 117.00 111.12 2pwg n LEU 323 Ca -0.18 -0.71 -0.12 0.00 -0.03 0.00 0.00 56.01 54.98 2pwg n LEU 323 Cb 0.61 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 2pwg n LEU 323 CO 0.18 0.17 0.24 -0.83 -1.33 0.00 0.00 177.39 175.81 2pwg s GLY 324 N -1.12 -0.38 0.09 -0.72 0.00 -1.26 -4.30 107.32 99.63 2pwg s GLY 324 Ca 0.04 0.21 -0.09 0.00 0.00 0.00 0.00 44.72 44.89 2pwg s GLY 324 CO 0.17 -0.07 0.43 1.16 0.00 0.00 0.00 173.10 174.79 2pwg n ASN 325 N -0.10 -0.77 0.03 1.64 0.23 -1.26 -4.40 115.26 110.62 2pwg n ASN 325 Ca -0.17 -1.42 0.08 0.00 -0.53 0.00 0.00 54.58 52.54 2pwg n ASN 325 Cb 0.63 1.26 0.34 0.00 -2.08 0.00 0.00 39.78 39.93 2pwg n ASN 325 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pwg n HIS 326 N -0.30 0.17 -0.16 -2.53 1.44 -1.26 -3.07 115.22 109.52 2pwg n HIS 326 Ca -0.01 0.07 0.07 0.00 -2.01 0.00 0.00 57.72 55.83 2pwg n HIS 326 Cb 0.25 -0.61 0.18 0.00 0.12 0.00 0.00 29.99 29.93 2pwg n HIS 326 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2pwg n ASP 327 N -1.66 3.05 -4.16 4.39 8.00 -1.26 -4.75 116.55 120.16 2pwg n ASP 327 Ca 0.03 -1.97 -0.11 0.00 0.71 0.00 0.00 54.79 53.45 2pwg n ASP 327 Cb 0.18 -0.26 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 2pwg n ASP 327 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2pwg s ASN 328 N -1.01 0.18 0.84 -2.24 0.01 -1.17 -4.42 114.94 107.12 2pwg s ASN 328 Ca 0.27 -1.27 -0.11 0.00 -0.71 0.00 0.00 52.86 51.04 2pwg s ASN 328 Cb 0.14 0.37 0.10 0.00 0.41 0.00 0.00 41.25 42.27 2pwg s ASN 328 CO 0.19 -0.83 1.10 -2.16 -1.51 0.00 0.00 177.10 173.89 2pwg s PRO 329 N -4.10 1.71 0.25 -0.60 0.04 -1.26 -3.96 135.00 127.08 2pwg s PRO 329 Ca 0.32 1.15 -0.31 0.00 0.04 0.00 0.00 61.00 62.20 2pwg s PRO 329 Cb 0.06 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.65 2pwg s PRO 329 CO 0.08 -2.02 1.60 0.54 0.04 0.00 0.00 177.00 177.24 2pwg n ARG 330 N -3.78 2.56 -0.23 4.56 5.12 -1.26 -4.78 116.66 118.86 2pwg n ARG 330 Ca 0.09 0.92 -0.01 0.00 -1.93 0.00 0.00 57.85 56.92 2pwg n ARG 330 Cb 0.53 -2.70 0.06 0.00 -1.16 0.00 0.00 32.46 29.20 2pwg n ARG 330 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2pwg h ALA 331 N 5.35 0.36 -0.53 7.54 0.00 -1.85 0.26 119.26 130.39 2pwg h ALA 331 Ca -0.45 0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2pwg h ALA 331 Cb 1.23 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 2pwg h ALA 331 CO 0.84 -0.46 0.07 -0.24 0.00 0.00 0.00 179.25 179.46 2pwg h VAL 332 N -0.03 1.24 -0.27 0.00 3.04 -1.92 0.20 116.25 118.51 2pwg h VAL 332 Ca 0.31 -0.93 -0.18 0.00 -1.01 0.00 0.00 66.70 64.89 2pwg h VAL 332 Cb 0.51 0.75 -0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2pwg h VAL 332 CO -0.70 0.34 -0.55 0.28 -1.01 0.00 0.00 177.57 175.93 2pwg h SER 333 N 0.81 0.92 0.08 3.17 0.02 -1.58 0.02 113.55 116.99 2pwg h SER 333 Ca 0.17 -0.49 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2pwg h SER 333 Cb 0.38 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2pwg h SER 333 CO 0.01 1.28 -0.04 -0.74 -1.14 0.00 0.00 176.83 176.20 2pwg h HIS 334 N 0.63 -0.10 0.00 3.45 6.17 -0.22 -3.40 115.15 121.69 2pwg h HIS 334 Ca 0.01 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.09 2pwg h HIS 334 Cb 1.15 0.03 0.00 0.00 2.52 0.00 0.00 27.41 31.11 2pwg h HIS 334 CO 0.07 0.45 -1.55 1.19 0.71 0.00 0.00 177.93 178.80 2pwg n PHE 335 N -4.83 0.00 0.00 5.26 3.72 0.69 -5.01 117.46 117.29 2pwg n PHE 335 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2pwg n PHE 335 Cb 0.30 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2pwg n PHE 335 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pwg n GLY 336 N 1.40 3.54 2.63 1.37 0.00 -0.03 -5.02 105.19 109.08 2pwg n GLY 336 Ca -0.01 -1.42 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 2pwg n GLY 336 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pwg s ASP 337 N 0.21 3.12 0.00 1.61 -1.08 -1.05 -4.80 116.67 114.68 2pwg s ASP 337 Ca 0.00 -1.04 0.12 0.00 -0.52 0.00 0.00 52.55 51.11 2pwg s ASP 337 Cb 0.00 -0.44 0.52 0.00 -1.46 0.00 0.00 42.92 41.55 2pwg s ASP 337 CO 0.00 -0.38 1.36 -0.90 0.52 0.00 0.00 175.17 175.77 2pwg n ASP 338 N 5.16 0.78 -4.75 -0.34 5.68 -1.25 -2.29 116.55 119.53 2pwg n ASP 338 Ca -0.06 -1.79 -0.38 0.00 -0.50 0.00 0.00 54.79 52.06 2pwg n ASP 338 Cb 0.45 -0.08 0.04 0.00 -1.14 0.00 0.00 41.12 40.39 2pwg n ASP 338 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2pwg s ARG 339 N -1.85 3.18 0.29 0.11 0.52 -1.26 -4.51 118.95 115.44 2pwg s ARG 339 Ca 0.19 2.25 0.00 0.00 -0.52 0.00 0.00 55.73 57.66 2pwg s ARG 339 Cb 0.10 -2.29 0.70 0.00 0.52 0.00 0.00 34.95 33.98 2pwg s ARG 339 CO 0.15 -1.16 1.60 -1.35 0.02 0.00 0.00 175.30 174.55 2pwg h PRO 340 N 1.52 0.06 0.00 3.54 0.11 -2.01 0.81 132.00 136.04 2pwg h PRO 340 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2pwg h PRO 340 Cb 1.30 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2pwg h PRO 340 CO 0.58 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 2pwg n GLN 341 N -5.41 0.18 -0.00 1.05 0.00 -1.26 -3.97 117.38 107.98 2pwg n GLN 341 Ca 0.21 0.23 0.01 0.00 0.00 0.00 0.00 57.00 57.45 2pwg n GLN 341 Cb 0.70 -1.75 -0.02 0.00 0.00 0.00 0.00 30.24 29.18 2pwg n GLN 341 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 2pwg n TRP 342 N -2.08 0.00 -0.07 2.61 7.02 0.07 -4.84 117.44 120.16 2pwg n TRP 342 Ca 0.05 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.44 2pwg n TRP 342 Cb 0.35 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.21 2pwg n TRP 342 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 2pwg h ARG 343 N 0.00 -0.31 0.10 -0.99 2.43 -0.54 -1.33 114.38 113.74 2pwg h ARG 343 Ca 0.00 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2pwg h ARG 343 Cb 0.07 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2pwg h ARG 343 CO 0.00 -0.21 -0.05 0.93 -1.51 0.00 0.00 179.97 179.14 2pwg h GLU 344 N -0.32 -0.13 -0.34 0.20 5.08 -1.87 0.17 114.58 117.37 2pwg h GLU 344 Ca 0.14 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2pwg h GLU 344 Cb 0.55 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2pwg h GLU 344 CO -0.46 0.04 0.16 0.00 -1.00 0.00 0.00 179.01 177.75 2pwg h ALA 345 N 0.60 0.41 -0.15 3.43 0.00 -1.87 0.79 119.26 122.47 2pwg h ALA 345 Ca -0.01 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2pwg h ALA 345 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2pwg h ALA 345 CO 0.02 -0.21 -0.48 0.66 0.00 0.00 0.00 179.25 179.24 2pwg h SER 346 N 0.34 0.40 -0.77 0.00 4.64 -1.20 -1.28 113.55 115.69 2pwg h SER 346 Ca 0.14 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 2pwg h SER 346 Cb 0.06 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.00 2pwg h SER 346 CO -0.11 0.82 0.39 0.00 -0.87 0.00 0.00 176.83 177.07 2pwg h ALA 347 N 1.19 0.99 -0.20 5.18 0.00 -0.08 -1.07 119.26 125.28 2pwg h ALA 347 Ca 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2pwg h ALA 347 Cb 0.95 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2pwg h ALA 347 CO 0.08 0.54 0.05 0.87 0.00 0.00 0.00 179.25 180.78 2pwg h LYS 348 N 1.08 0.31 -0.92 0.00 1.57 -0.49 -2.16 116.57 115.98 2pwg h LYS 348 Ca 0.27 -0.08 0.09 0.00 -1.87 0.00 0.00 60.65 59.06 2pwg h LYS 348 Cb 0.08 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.28 2pwg h LYS 348 CO -0.04 0.45 0.56 0.00 -0.57 0.00 0.00 179.45 179.85 2pwg h ALA 349 N 0.86 1.31 0.00 3.86 0.00 -0.90 -0.38 119.26 124.01 2pwg h ALA 349 Ca 0.06 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2pwg h ALA 349 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2pwg h ALA 349 CO 0.00 0.24 -0.32 -0.07 0.00 0.00 0.00 179.25 179.10 2pwg h LEU 350 N 0.96 0.00 -0.35 0.00 3.38 -0.98 -2.30 115.31 116.02 2pwg h LEU 350 Ca 0.43 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.24 2pwg h LEU 350 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2pwg h LEU 350 CO -0.22 0.32 -0.40 0.00 0.09 0.00 0.00 178.44 178.23 2pwg h ALA 351 N 1.68 0.52 -0.63 1.53 0.00 -0.45 -1.24 119.26 120.67 2pwg h ALA 351 Ca -0.00 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.49 2pwg h ALA 351 Cb 0.64 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2pwg h ALA 351 CO 0.04 0.63 0.36 1.15 0.00 0.00 0.00 179.25 181.43 2pwg h THR 352 N 0.68 1.01 0.66 0.00 2.02 -0.76 -1.37 112.91 115.15 2pwg h THR 352 Ca 0.05 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 2pwg h THR 352 Cb 0.99 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2pwg h THR 352 CO 0.10 0.13 -0.32 0.58 0.37 0.00 0.00 175.52 176.37 2pwg h VAL 353 N 0.69 0.30 -0.70 3.16 2.07 -1.26 -2.73 116.25 117.78 2pwg h VAL 353 Ca 0.27 -0.14 0.15 0.00 0.82 0.00 0.00 66.70 67.80 2pwg h VAL 353 Cb 0.11 0.35 -0.12 0.00 -1.52 0.00 0.00 31.29 30.10 2pwg h VAL 353 CO -0.15 0.02 -0.05 0.74 0.02 0.00 0.00 177.57 178.15 2pwg h THR 354 N -0.99 0.37 -0.00 2.57 2.02 -0.88 -1.42 112.91 114.58 2pwg h THR 354 Ca -0.09 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2pwg h THR 354 Cb 0.71 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2pwg h THR 354 CO 0.15 0.01 -0.01 0.18 0.37 0.00 0.00 175.52 176.22 2pwg n LEU 355 N -5.36 0.41 -0.20 2.58 4.32 -0.55 -3.44 117.00 114.76 2pwg n LEU 355 Ca 0.11 -0.10 0.02 0.00 -0.02 0.00 0.00 56.01 56.02 2pwg n LEU 355 Cb 0.41 -0.04 0.05 0.00 -1.62 0.00 0.00 43.42 42.21 2pwg n LEU 355 CO 0.06 0.07 0.53 0.35 -1.22 0.00 0.00 177.39 177.18 2pwg n THR 356 N -0.74 0.97 -2.74 -5.08 -2.24 -0.57 -4.82 114.28 99.06 2pwg n THR 356 Ca 0.21 -0.98 -0.32 0.00 -2.27 0.00 0.00 64.05 60.68 2pwg n THR 356 Cb 0.20 0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 2pwg n THR 356 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pwg s GLN 357 N -0.98 4.06 -0.23 -0.78 -1.52 -1.02 -4.97 119.66 114.23 2pwg s GLN 357 Ca 0.07 0.94 -0.28 0.00 -1.95 0.00 0.00 55.36 54.14 2pwg s GLN 357 Cb 0.04 -2.22 0.01 0.00 -0.22 0.00 0.00 33.01 30.61 2pwg s GLN 357 CO 0.05 -0.08 0.99 0.50 -0.25 0.00 0.00 175.29 176.51 2pwg s ARG 358 N -3.49 4.24 0.00 2.91 3.52 -1.26 -4.77 118.95 120.10 2pwg s ARG 358 Ca 0.59 1.26 0.00 0.00 -0.13 0.00 0.00 55.73 57.45 2pwg s ARG 358 Cb -0.10 -3.64 0.00 0.00 -1.56 0.00 0.00 34.95 29.65 2pwg s ARG 358 CO 0.21 -0.61 0.00 0.41 -0.81 0.00 0.00 175.30 174.50 2pwg n GLY 359 N 3.42 0.94 3.52 8.12 0.00 -1.24 -4.82 105.19 115.14 2pwg n GLY 359 Ca 0.11 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 2pwg n GLY 359 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pwg s THR 360 N -1.25 5.06 0.22 2.61 2.01 0.12 -4.83 115.64 119.57 2pwg s THR 360 Ca 0.00 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 2pwg s THR 360 Cb 0.00 -3.99 -0.09 0.00 0.01 0.00 0.00 72.50 68.44 2pwg s THR 360 CO 0.00 -0.31 1.15 -2.16 -0.69 0.00 0.00 174.62 172.61 2pwg s PRO 361 N 2.26 4.56 -0.16 4.92 0.04 -1.26 -0.58 135.00 144.78 2pwg s PRO 361 Ca 0.15 1.83 0.01 0.00 0.04 0.00 0.00 61.00 63.03 2pwg s PRO 361 Cb -0.16 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.17 2pwg s PRO 361 CO 0.14 0.04 -0.20 -0.06 0.04 0.00 0.00 177.00 176.96 2pwg s PHE 362 N -0.50 2.63 -0.25 0.56 0.40 0.46 -0.84 117.98 120.45 2pwg s PHE 362 Ca 0.49 -1.48 -0.08 0.00 -0.60 0.00 0.00 56.93 55.26 2pwg s PHE 362 Cb -0.32 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.35 2pwg s PHE 362 CO 0.38 -0.72 0.10 0.42 0.70 0.00 0.00 175.22 176.10 2pwg s ILE 363 N 1.17 4.61 0.03 0.64 1.01 -0.71 -4.44 121.20 123.50 2pwg s ILE 363 Ca 0.01 -0.07 -0.28 0.00 0.00 0.00 0.00 60.65 60.31 2pwg s ILE 363 Cb -0.14 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 2pwg s ILE 363 CO -0.09 0.32 0.88 0.12 0.00 0.00 0.00 174.94 176.17 2pwg s PHE 364 N 1.57 3.70 -0.07 3.97 5.36 -1.26 -0.44 117.98 130.81 2pwg s PHE 364 Ca 0.06 1.59 -0.41 0.00 -0.96 0.00 0.00 56.93 57.22 2pwg s PHE 364 Cb -0.15 -2.98 -0.20 0.00 -0.34 0.00 0.00 43.02 39.35 2pwg s PHE 364 CO 0.05 0.13 1.19 0.00 -1.46 0.00 0.00 175.22 175.14 2pwg n GLN 365 N 3.34 0.14 0.00 10.12 10.64 -0.67 -1.38 117.38 139.58 2pwg n GLN 365 Ca 0.02 0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 2pwg n GLN 365 Cb 0.50 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 28.31 2pwg n GLN 365 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2pwg n GLY 366 N 2.05 3.16 0.21 2.61 0.00 -1.26 -4.88 105.19 107.08 2pwg n GLY 366 Ca 0.22 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.39 2pwg n GLY 366 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pwg h ASP 367 N 0.00 0.00 0.83 1.61 3.32 -1.56 -0.88 116.42 119.73 2pwg h ASP 367 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pwg h ASP 367 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2pwg h ASP 367 CO 0.00 0.00 0.00 -1.84 -1.72 0.00 0.00 179.24 175.68 2pwg n GLU 368 N -2.71 0.06 -0.00 3.56 0.00 -1.26 -2.64 120.64 117.66 2pwg n GLU 368 Ca 0.01 0.05 0.09 0.00 0.00 0.00 0.00 57.16 57.31 2pwg n GLU 368 Cb 0.27 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.09 2pwg n GLU 368 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2pwg n LEU 369 N -1.46 0.61 -0.06 -1.84 4.77 -0.36 -1.54 117.00 117.12 2pwg n LEU 369 Ca 0.07 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2pwg n LEU 369 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2pwg n LEU 369 CO 0.24 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2pwg n GLY 370 N 1.43 0.69 3.75 -0.72 0.00 -1.08 -4.82 105.19 104.45 2pwg n GLY 370 Ca 0.01 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 2pwg n GLY 370 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pwg s MET 371 N -3.57 2.98 0.50 1.61 -1.94 -1.09 -4.99 119.30 112.79 2pwg s MET 371 Ca 0.00 1.83 0.00 0.00 -1.71 0.00 0.00 55.69 55.82 2pwg s MET 371 Cb 0.00 -1.94 -0.00 0.00 2.01 0.00 0.00 34.83 34.90 2pwg s MET 371 CO 0.00 -1.20 0.01 0.25 -0.01 0.00 0.00 175.02 174.07 2pwg n THR 372 N -1.57 0.00 -0.72 2.05 -2.24 -1.26 -4.52 114.28 106.02 2pwg n THR 372 Ca 0.14 -2.38 -0.31 0.00 -2.27 0.00 0.00 64.05 59.23 2pwg n THR 372 Cb 0.50 0.50 0.17 0.00 -2.10 0.00 0.00 70.33 69.40 2pwg n THR 372 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2pwg s ASN 373 N -3.75 2.75 0.01 3.42 0.01 -1.26 -4.83 114.94 111.29 2pwg s ASN 373 Ca 0.02 2.06 -0.05 0.00 -0.71 0.00 0.00 52.86 54.18 2pwg s ASN 373 Cb 0.00 -2.52 -0.05 0.00 0.41 0.00 0.00 41.25 39.09 2pwg s ASN 373 CO 0.01 -3.19 0.25 -0.47 -1.51 0.00 0.00 177.10 172.19 2pwg s TYR 374 N -2.64 3.56 -1.38 2.20 5.04 -1.26 -5.02 117.35 117.84 2pwg s TYR 374 Ca 0.67 0.49 -0.14 0.00 -2.44 0.00 0.00 57.07 55.64 2pwg s TYR 374 Cb -0.23 -1.93 0.07 0.00 0.35 0.00 0.00 41.96 40.23 2pwg s TYR 374 CO 0.59 0.61 2.01 -0.35 -1.34 0.00 0.00 175.55 177.07 2pwg n PRO 375 N 0.96 3.08 -1.83 4.97 -0.04 -1.26 -4.98 135.00 135.89 2pwg n PRO 375 Ca -0.10 -2.98 -0.41 0.00 -0.04 0.00 0.00 63.50 59.97 2pwg n PRO 375 Cb 0.53 -3.28 -0.01 0.00 -0.04 0.00 0.00 33.50 30.70 2pwg n PRO 375 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2pwg s PHE 376 N 2.96 2.71 -0.07 0.54 0.08 -1.26 -4.93 117.98 118.01 2pwg s PHE 376 Ca 0.47 1.04 0.07 0.00 0.12 0.00 0.00 56.93 58.64 2pwg s PHE 376 Cb 0.10 -4.00 -0.10 0.00 -0.57 0.00 0.00 43.02 38.45 2pwg s PHE 376 CO -0.03 -3.10 0.05 1.63 -0.10 0.00 0.00 175.22 173.67 2pwg n LYS 377 N 1.21 2.43 -4.10 0.44 4.76 -1.26 -5.06 118.16 116.58 2pwg n LYS 377 Ca 0.04 -0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.38 2pwg n LYS 377 Cb 0.39 -1.20 -0.10 0.00 -1.84 0.00 0.00 35.03 32.28 2pwg n LYS 377 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2pwg s THR 378 N -2.24 0.14 0.56 -0.18 -4.23 -1.26 -5.01 115.64 103.42 2pwg s THR 378 Ca -0.04 -1.80 0.29 0.00 -1.18 0.00 0.00 61.69 58.96 2pwg s THR 378 Cb 0.03 -1.84 0.34 0.00 1.34 0.00 0.00 72.50 72.38 2pwg s THR 378 CO 0.33 -0.62 2.23 -0.07 -0.54 0.00 0.00 174.62 175.95 2pwg h LEU 379 N 2.92 0.00 -0.35 4.79 4.07 -1.97 -0.92 115.31 123.85 2pwg h LEU 379 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.62 2pwg h LEU 379 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 2pwg h LEU 379 CO 0.60 0.02 0.00 0.00 -1.08 0.00 0.00 178.44 177.98 2pwg n GLN 380 N -3.82 0.12 0.00 1.13 3.00 -1.26 -2.56 117.38 113.99 2pwg n GLN 380 Ca -0.03 0.32 0.14 0.00 -0.01 0.00 0.00 57.00 57.42 2pwg n GLN 380 Cb 0.11 -1.71 0.65 0.00 0.00 0.00 0.00 30.24 29.29 2pwg n GLN 380 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2pwg n ASP 381 N -1.94 0.08 -4.77 1.08 8.00 -0.35 -4.76 116.55 113.88 2pwg n ASP 381 Ca 0.03 0.09 -0.37 0.00 0.71 0.00 0.00 54.79 55.25 2pwg n ASP 381 Cb 0.24 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 40.94 2pwg n ASP 381 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2pwg s PHE 382 N -2.78 3.57 -0.12 1.24 0.40 -1.06 -4.95 117.98 114.28 2pwg s PHE 382 Ca 0.21 0.78 0.17 0.00 -0.60 0.00 0.00 56.93 57.49 2pwg s PHE 382 Cb 0.20 -2.33 -0.22 0.00 0.51 0.00 0.00 43.02 41.17 2pwg s PHE 382 CO 0.51 0.40 0.47 -3.47 0.70 0.00 0.00 175.22 173.82 2pwg n ASP 383 N 2.90 0.44 -4.70 1.36 2.03 -1.26 -4.99 116.55 112.34 2pwg n ASP 383 Ca -0.12 0.20 -0.54 0.00 0.52 0.00 0.00 54.79 54.85 2pwg n ASP 383 Cb 0.52 0.64 -0.06 0.00 -0.72 0.00 0.00 41.12 41.50 2pwg n ASP 383 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2pwg n ASP 384 N -2.80 2.84 0.05 1.67 -0.08 -1.26 -4.88 116.55 112.09 2pwg n ASP 384 Ca -0.19 1.03 0.14 0.00 -1.51 0.00 0.00 54.79 54.26 2pwg n ASP 384 Cb 0.97 -1.24 0.62 0.00 2.34 0.00 0.00 41.12 43.82 2pwg n ASP 384 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2pwg h ILE 385 N 5.36 0.86 -0.22 5.18 2.10 -1.94 -0.96 117.51 127.89 2pwg h ILE 385 Ca -0.47 -0.04 -0.03 0.00 1.08 0.00 0.00 64.86 65.40 2pwg h ILE 385 Cb 1.30 0.73 -0.01 0.00 -1.09 0.00 0.00 36.82 37.75 2pwg h ILE 385 CO 0.96 0.02 -0.01 -0.08 -1.08 0.00 0.00 178.15 177.96 2pwg h GLU 386 N 0.12 0.32 -0.34 2.19 4.81 -1.89 -1.87 114.58 117.91 2pwg h GLU 386 Ca 0.19 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.19 2pwg h GLU 386 Cb 0.59 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 2pwg h GLU 386 CO -0.02 0.36 -0.45 0.28 -0.73 0.00 0.00 179.01 178.45 2pwg h VAL 387 N 0.32 1.27 -0.91 0.32 2.07 -1.55 -1.73 116.25 116.04 2pwg h VAL 387 Ca 0.07 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 65.98 2pwg h VAL 387 Cb 0.24 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 2pwg h VAL 387 CO 0.01 0.54 0.60 0.11 0.02 0.00 0.00 177.57 178.85 2pwg h LYS 388 N 0.71 1.18 -0.96 1.57 1.57 -1.45 -0.21 116.57 118.99 2pwg h LYS 388 Ca 0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2pwg h LYS 388 Cb 1.05 -0.27 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 2pwg h LYS 388 CO 0.11 0.78 0.61 0.78 -0.57 0.00 0.00 179.45 181.15 2pwg h GLY 389 N 1.21 1.37 1.14 3.86 0.00 -0.96 0.55 103.07 110.24 2pwg h GLY 389 Ca 0.34 -0.54 -0.12 0.00 0.00 0.00 0.00 47.33 47.01 2pwg h GLY 389 CO -0.08 0.53 -0.15 0.74 0.00 0.00 0.00 176.54 177.58 2pwg h PHE 390 N 1.31 1.12 -0.15 5.60 0.04 -0.34 0.17 116.94 124.68 2pwg h PHE 390 Ca 0.35 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2pwg h PHE 390 Cb -0.10 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.77 2pwg h PHE 390 CO 0.00 1.06 0.10 0.35 -0.60 0.00 0.00 178.31 179.22 2pwg h PHE 391 N 0.87 0.19 -0.43 -0.55 3.57 -0.49 0.38 116.94 120.48 2pwg h PHE 391 Ca 0.13 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.64 2pwg h PHE 391 Cb 0.72 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2pwg h PHE 391 CO 0.05 0.13 0.27 0.37 -2.23 0.00 0.00 178.31 176.90 2pwg h GLN 392 N 0.20 0.53 0.00 1.11 4.15 -0.63 0.07 115.11 120.55 2pwg h GLN 392 Ca 0.05 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.29 2pwg h GLN 392 Cb -0.01 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 2pwg h GLN 392 CO -0.01 0.35 -0.81 -0.44 -1.93 0.00 0.00 178.83 176.00 2pwg h ASP 393 N 0.55 0.00 0.00 -0.69 3.32 -0.36 -3.37 116.42 115.87 2pwg h ASP 393 Ca 0.16 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 2pwg h ASP 393 Cb -0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2pwg h ASP 393 CO -0.05 0.69 -1.21 -1.22 -1.72 0.00 0.00 179.24 175.73 2pwg n TYR 394 N -3.22 0.00 -0.06 4.55 4.02 0.13 -4.51 117.16 118.07 2pwg n TYR 394 Ca -0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.67 2pwg n TYR 394 Cb 0.82 -0.15 -0.12 0.00 -0.02 0.00 0.00 39.34 39.87 2pwg n TYR 394 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2pwg h VAL 395 N 0.00 0.93 0.00 -0.72 2.07 -1.05 0.17 116.25 117.65 2pwg h VAL 395 Ca -0.08 -2.25 -0.04 0.00 0.82 0.00 0.00 66.70 65.14 2pwg h VAL 395 Cb 1.14 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 2pwg h VAL 395 CO 0.00 0.50 -0.20 -0.33 0.02 0.00 0.00 177.57 177.57 2pwg h GLU 396 N -0.69 0.00 -0.01 1.57 5.08 -1.49 -0.67 114.58 118.38 2pwg h GLU 396 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2pwg h GLU 396 Cb 1.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.75 2pwg h GLU 396 CO -0.10 0.20 -0.15 0.25 -1.00 0.00 0.00 179.01 178.21 2pwg n THR 397 N -3.79 0.00 -1.01 1.13 -2.24 -1.26 -4.93 114.28 102.18 2pwg n THR 397 Ca -0.02 -0.09 -0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2pwg n THR 397 Cb 0.30 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2pwg n THR 397 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwg n GLY 398 N 1.29 0.47 0.23 3.38 0.00 -0.26 -4.91 105.19 105.39 2pwg n GLY 398 Ca 0.14 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.05 2pwg n GLY 398 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pwg h LYS 399 N 0.70 0.00 -3.34 1.61 1.57 -0.99 -3.46 116.57 112.66 2pwg h LYS 399 Ca -0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2pwg h LYS 399 Cb 0.10 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.29 2pwg h LYS 399 CO 0.01 0.11 -0.01 0.00 -0.57 0.00 0.00 179.45 178.99 2pwg s ALA 400 N -3.38 -0.96 0.49 3.86 0.00 0.07 -5.00 121.76 116.84 2pwg s ALA 400 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.88 2pwg s ALA 400 Cb 0.07 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.98 2pwg s ALA 400 CO 0.64 -0.72 0.75 0.95 0.00 0.00 0.00 175.76 177.38 2pwg s THR 401 N -3.83 3.97 0.19 0.00 -4.23 -1.26 -4.12 115.64 106.36 2pwg s THR 401 Ca 0.06 -0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 60.15 2pwg s THR 401 Cb 0.01 -3.50 0.10 0.00 1.34 0.00 0.00 72.50 70.44 2pwg s THR 401 CO -0.08 -0.41 1.84 0.00 -0.54 0.00 0.00 174.62 175.43 2pwg h ALA 402 N 0.22 0.80 -0.68 3.99 0.00 -1.96 -1.95 119.26 119.66 2pwg h ALA 402 Ca -0.46 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.45 2pwg h ALA 402 Cb 1.25 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 2pwg h ALA 402 CO 0.59 0.24 0.38 1.05 0.00 0.00 0.00 179.25 181.51 2pwg h GLU 403 N 0.85 0.69 -0.57 0.00 -0.00 -1.99 -0.98 114.58 112.57 2pwg h GLU 403 Ca 0.23 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.36 59.54 2pwg h GLU 403 Cb -0.07 -0.15 -0.03 0.00 -0.00 0.00 0.00 28.75 28.50 2pwg h GLU 403 CO -0.05 0.45 0.32 0.93 -0.00 0.00 0.00 179.01 180.67 2pwg h GLU 404 N 0.71 0.80 -0.61 1.06 5.08 -1.80 -1.14 114.58 118.66 2pwg h GLU 404 Ca 0.31 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2pwg h GLU 404 Cb 0.19 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2pwg h GLU 404 CO -0.18 0.60 0.38 1.25 -1.00 0.00 0.00 179.01 180.06 2pwg h LEU 405 N 0.77 0.73 0.13 1.33 5.85 -0.60 -2.24 115.31 121.29 2pwg h LEU 405 Ca 0.20 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2pwg h LEU 405 Cb 0.03 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2pwg h LEU 405 CO -0.03 0.57 -0.06 0.25 -0.34 0.00 0.00 178.44 178.83 2pwg h LEU 406 N 0.83 -0.15 -0.77 2.25 5.85 -0.94 0.24 115.31 122.63 2pwg h LEU 406 Ca 0.22 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.99 2pwg h LEU 406 Cb -0.03 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 2pwg h LEU 406 CO -0.04 -0.05 0.41 0.74 -0.34 0.00 0.00 178.44 179.16 2pwg h THR 407 N -0.23 0.87 0.06 1.05 2.02 -1.11 -1.39 112.91 114.18 2pwg h THR 407 Ca -0.02 -0.24 -0.15 0.00 0.77 0.00 0.00 66.41 66.77 2pwg h THR 407 Cb 0.18 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2pwg h THR 407 CO 0.03 0.13 -0.77 0.78 0.37 0.00 0.00 175.52 176.06 2pwg h ASN 408 N 0.69 0.19 0.86 4.18 2.35 -1.28 -3.35 115.58 119.23 2pwg h ASN 408 Ca 0.38 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2pwg h ASN 408 Cb 0.38 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2pwg h ASN 408 CO -0.26 1.33 0.00 1.62 -1.65 0.00 0.00 177.43 178.47 2pwg h VAL 409 N -0.69 0.00 -0.03 2.81 3.04 -0.53 -2.62 116.25 118.22 2pwg h VAL 409 Ca -0.17 -0.40 0.01 0.00 -1.01 0.00 0.00 66.70 65.12 2pwg h VAL 409 Cb 1.39 1.34 -0.00 0.00 -2.01 0.00 0.00 31.29 32.00 2pwg h VAL 409 CO 0.01 0.00 0.03 0.00 -1.01 0.00 0.00 177.57 176.60 2pwg h ALA 410 N 2.06 1.77 -0.00 3.17 0.00 -1.38 0.10 119.26 124.97 2pwg h ALA 410 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pwg h ALA 410 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2pwg h ALA 410 CO 0.00 -0.05 -0.76 1.28 0.00 0.00 0.00 179.25 179.72 2pwg n LEU 411 N -4.13 0.80 0.00 0.00 4.77 -0.99 -4.48 117.00 112.97 2pwg n LEU 411 Ca -0.02 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 2pwg n LEU 411 Cb 0.12 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2pwg n LEU 411 CO 0.30 0.20 -0.28 0.35 -1.33 0.00 0.00 177.39 176.63 2pwg n THR 412 N -1.46 0.00 -1.72 -5.08 -2.24 -0.81 -4.71 114.28 98.26 2pwg n THR 412 Ca 0.05 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 2pwg n THR 412 Cb 0.33 0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 2pwg n THR 412 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2pwg n SER 413 N -1.19 3.46 0.29 3.42 2.88 0.29 -4.25 113.62 118.53 2pwg n SER 413 Ca 0.00 1.14 0.16 0.00 -1.33 0.00 0.00 58.87 58.85 2pwg n SER 413 Cb 0.00 -1.53 0.95 0.00 -0.75 0.00 0.00 64.21 62.88 2pwg n SER 413 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2pwg h ARG 414 N 4.59 0.00 0.00 -1.46 3.08 -1.84 -1.57 114.38 117.18 2pwg h ARG 414 Ca -0.46 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.58 2pwg h ARG 414 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 2pwg h ARG 414 CO 0.78 0.00 -0.02 -0.44 -1.07 0.00 0.00 179.97 179.22 2pwg h ASP 415 N 0.00 0.00 -0.05 7.04 3.32 -1.89 -2.06 116.42 122.79 2pwg h ASP 415 Ca 0.01 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.08 2pwg h ASP 415 Cb 0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2pwg h ASP 415 CO -0.00 0.02 0.04 0.78 -1.72 0.00 0.00 179.24 178.36 2pwg h ASN 416 N 0.00 0.00 0.05 6.45 2.35 -1.56 -1.70 115.58 121.17 2pwg h ASN 416 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2pwg h ASN 416 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2pwg h ASN 416 CO 0.00 0.00 -0.22 0.00 -1.65 0.00 0.00 177.43 175.56 2pwg n ALA 417 N -2.49 3.00 0.73 -0.83 0.00 -0.77 -4.27 120.51 115.88 2pwg n ALA 417 Ca -0.02 -0.55 0.09 0.00 0.00 0.00 0.00 53.44 52.97 2pwg n ALA 417 Cb 0.14 -0.96 0.09 0.00 0.00 0.00 0.00 19.45 18.72 2pwg n ALA 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pwg n ARG 418 N 0.15 1.67 -2.31 0.00 1.74 -0.64 -4.88 116.66 112.39 2pwg n ARG 418 Ca 0.13 -1.66 -0.38 0.00 -0.77 0.00 0.00 57.85 55.17 2pwg n ARG 418 Cb 0.44 -1.37 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 2pwg n ARG 418 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2pwg s THR 419 N -1.54 3.17 0.12 0.55 -4.23 -1.21 -4.74 115.64 107.76 2pwg s THR 419 Ca 0.23 1.00 -0.33 0.00 -1.18 0.00 0.00 61.69 61.41 2pwg s THR 419 Cb 0.16 -3.57 -0.18 0.00 1.34 0.00 0.00 72.50 70.25 2pwg s THR 419 CO 0.24 0.11 0.77 -2.65 -0.54 0.00 0.00 174.62 172.54 2pwg n PRO 420 N 0.17 0.06 -1.88 3.99 -0.02 -1.26 -4.89 135.00 131.16 2pwg n PRO 420 Ca 0.04 0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 61.13 2pwg n PRO 420 Cb 0.46 -1.24 -0.01 0.00 -0.02 0.00 0.00 33.50 32.68 2pwg n PRO 420 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2pwg s PHE 421 N -0.57 2.80 -0.74 6.00 2.19 -0.51 -4.79 117.98 122.37 2pwg s PHE 421 Ca 0.75 1.03 -0.18 0.00 0.33 0.00 0.00 56.93 58.86 2pwg s PHE 421 Cb -1.06 -3.95 0.13 0.00 -1.31 0.00 0.00 43.02 36.83 2pwg s PHE 421 CO 0.56 -2.98 0.87 -0.65 1.83 0.00 0.00 175.22 174.85 2pwg s GLN 422 N -1.10 3.32 0.01 10.12 -0.21 -1.26 -4.47 119.66 126.07 2pwg s GLN 422 Ca 0.57 -1.61 -0.20 0.00 0.02 0.00 0.00 55.36 54.15 2pwg s GLN 422 Cb -0.45 -4.49 -0.21 0.00 1.00 0.00 0.00 33.01 28.87 2pwg s GLN 422 CO 0.52 -1.59 1.16 -1.49 -2.12 0.00 0.00 175.29 171.76 2pwg h TRP 423 N 8.87 0.58 -0.88 0.91 4.06 -1.47 -0.57 115.95 127.44 2pwg h TRP 423 Ca -0.09 -0.28 0.00 0.00 2.06 0.00 0.00 58.89 60.58 2pwg h TRP 423 Cb 1.06 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 2pwg h TRP 423 CO 0.98 1.06 0.00 -0.40 -3.56 0.00 0.00 178.44 176.53 2pwg n ASP 424 N -4.29 0.00 -1.16 -3.49 5.68 -0.79 -0.59 116.55 111.91 2pwg n ASP 424 Ca -0.09 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.25 2pwg n ASP 424 Cb 0.60 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.85 2pwg n ASP 424 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2pwg n ASP 425 N 0.00 3.97 -4.24 -1.12 5.68 -1.26 -4.39 116.55 115.19 2pwg n ASP 425 Ca 0.00 -3.15 -0.28 0.00 -0.50 0.00 0.00 54.79 50.86 2pwg n ASP 425 Cb 0.00 -0.60 0.17 0.00 -1.14 0.00 0.00 41.12 39.55 2pwg n ASP 425 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2pwg s SER 426 N -1.81 3.38 0.12 -1.12 1.04 -1.26 -4.86 113.70 109.18 2pwg s SER 426 Ca 0.45 -0.00 -0.35 0.00 0.48 0.00 0.00 55.95 56.53 2pwg s SER 426 Cb 0.37 -0.09 -0.16 0.00 0.10 0.00 0.00 66.02 66.24 2pwg s SER 426 CO 0.09 -2.54 1.39 0.00 0.98 0.00 0.00 173.24 173.16 2pwg n ALA 427 N -3.51 -0.28 -3.42 5.32 0.00 -1.26 -0.96 120.51 116.40 2pwg n ALA 427 Ca 0.16 0.49 -0.25 0.00 0.00 0.00 0.00 53.44 53.84 2pwg n ALA 427 Cb 0.60 -2.15 0.03 0.00 0.00 0.00 0.00 19.45 17.92 2pwg n ALA 427 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pwg n ASN 428 N 2.69 -5.14 -2.25 0.00 3.02 -1.26 -2.27 115.26 110.05 2pwg n ASN 428 Ca 0.17 -0.47 -0.11 0.00 -0.03 0.00 0.00 54.58 54.14 2pwg n ASN 428 Cb 0.22 -4.14 -0.01 0.00 -0.61 0.00 0.00 39.78 35.24 2pwg n ASN 428 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pwg n ALA 429 N -4.01 -0.69 -0.98 5.41 0.00 -0.14 -1.36 120.51 118.74 2pwg n ALA 429 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2pwg n ALA 429 Cb 0.57 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2pwg n ALA 429 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwg n GLY 430 N -0.68 0.32 0.20 0.00 0.00 -0.96 -1.19 105.19 102.87 2pwg n GLY 430 Ca -0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 2pwg n GLY 430 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pwg h PHE 431 N 0.00 0.95 -3.47 1.61 3.57 -1.44 -3.46 116.94 114.71 2pwg h PHE 431 Ca 0.00 -0.47 -0.08 0.00 3.53 0.00 0.00 57.97 60.95 2pwg h PHE 431 Cb 0.37 -0.13 -0.15 0.00 2.79 0.00 0.00 35.95 38.83 2pwg h PHE 431 CO 0.23 1.29 -0.25 -0.08 -2.23 0.00 0.00 178.31 177.28 2pwg s THR 432 N -3.52 0.10 -1.95 4.41 -1.32 -1.26 -1.22 115.64 110.88 2pwg s THR 432 Ca -0.09 -0.80 0.23 0.00 -1.21 0.00 0.00 61.69 59.82 2pwg s THR 432 Cb 0.08 -1.10 0.03 0.00 -1.51 0.00 0.00 72.50 70.00 2pwg s THR 432 CO 0.90 -0.44 1.16 0.35 -2.21 0.00 0.00 174.62 174.38 2pwg n THR 433 N 0.23 0.00 -0.08 5.08 -2.24 -1.26 -4.74 114.28 111.27 2pwg n THR 433 Ca -0.17 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2pwg n THR 433 Cb 0.61 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 2pwg n THR 433 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwg n GLY 434 N 1.41 3.56 3.34 3.38 0.00 -1.26 -4.99 105.19 110.64 2pwg n GLY 434 Ca 0.10 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 2pwg n GLY 434 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pwg s LYS 435 N 4.89 2.86 0.50 1.61 2.20 -1.26 -4.92 119.74 125.62 2pwg s LYS 435 Ca 0.00 -1.03 -0.21 0.00 -0.36 0.00 0.00 55.97 54.36 2pwg s LYS 435 Cb 0.00 -3.56 -0.08 0.00 -1.51 0.00 0.00 37.83 32.67 2pwg s LYS 435 CO 0.00 -0.61 0.93 -0.35 -0.36 0.00 0.00 175.35 174.96 2pwg n PRO 436 N 4.91 1.09 0.24 4.03 -0.04 -1.26 -4.06 135.00 139.92 2pwg n PRO 436 Ca -0.13 0.40 0.10 0.00 -0.04 0.00 0.00 63.50 63.84 2pwg n PRO 436 Cb 0.46 -2.04 0.62 0.00 -0.04 0.00 0.00 33.50 32.50 2pwg n PRO 436 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2pwg h TRP 437 N 1.02 0.00 -3.55 0.54 5.08 -1.66 -3.40 115.95 113.97 2pwg h TRP 437 Ca -0.46 0.00 -0.34 0.00 1.08 0.00 0.00 58.89 59.17 2pwg h TRP 437 Cb 1.35 0.00 -0.33 0.00 -3.00 0.00 0.00 29.16 27.18 2pwg h TRP 437 CO 0.40 0.18 -0.75 -1.17 -1.28 0.00 0.00 178.44 175.82 2pwg s LEU 438 N -7.40 1.31 0.38 0.11 2.96 -1.26 -5.05 118.68 109.73 2pwg s LEU 438 Ca -0.02 -0.03 -0.25 0.00 -0.22 0.00 0.00 54.13 53.60 2pwg s LEU 438 Cb 0.13 -0.22 -0.12 0.00 0.50 0.00 0.00 46.19 46.48 2pwg s LEU 438 CO 0.62 -0.08 0.91 0.29 -1.32 0.00 0.00 176.35 176.77 2pwg n LYS 439 N 3.95 1.17 -2.82 1.98 5.02 -1.26 -4.39 118.16 121.80 2pwg n LYS 439 Ca -0.25 0.42 -0.36 0.00 -2.02 0.00 0.00 58.31 56.10 2pwg n LYS 439 Cb 0.52 -1.86 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 2pwg n LYS 439 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2pwg s VAL 440 N -1.25 4.29 0.18 -0.18 1.01 -1.26 -4.49 120.40 118.68 2pwg s VAL 440 Ca 0.62 1.69 -0.31 0.00 0.00 0.00 0.00 61.98 63.99 2pwg s VAL 440 Cb -0.61 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 31.78 2pwg s VAL 440 CO 0.58 0.04 1.37 0.21 0.00 0.00 0.00 175.10 177.30 2pwg s ASN 441 N -1.76 6.81 0.56 3.32 3.84 -1.26 -4.90 114.94 121.56 2pwg s ASN 441 Ca 0.52 2.43 0.25 0.00 0.21 0.00 0.00 52.86 56.28 2pwg s ASN 441 Cb -0.16 -2.60 1.57 0.00 -0.55 0.00 0.00 41.25 39.51 2pwg s ASN 441 CO 0.21 -0.62 2.15 -0.65 -2.79 0.00 0.00 177.10 175.40 2pwg h PRO 442 N 5.90 0.00 0.00 0.43 0.11 -1.98 -2.23 132.00 134.23 2pwg h PRO 442 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2pwg h PRO 442 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2pwg h PRO 442 CO 0.81 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.87 2pwg n ASN 443 N -4.07 0.00 0.24 -2.05 0.23 -1.26 -3.13 115.26 105.22 2pwg n ASN 443 Ca 0.00 -1.01 0.10 0.00 -0.53 0.00 0.00 54.58 53.14 2pwg n ASN 443 Cb 0.23 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.53 2pwg n ASN 443 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 2pwg h TYR 444 N 0.00 0.00 -0.22 -2.53 -0.00 -1.60 0.23 116.97 112.86 2pwg h TYR 444 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 58.73 58.78 2pwg h TYR 444 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.72 2pwg h TYR 444 CO 0.00 0.19 0.16 1.79 -0.00 0.00 0.00 178.16 180.29 2pwg h THR 445 N 0.00 0.92 0.00 -0.90 1.35 -1.83 -3.02 112.91 109.43 2pwg h THR 445 Ca -0.00 -0.02 -0.34 0.00 -0.55 0.00 0.00 66.41 65.50 2pwg h THR 445 Cb 0.45 0.86 -0.06 0.00 -1.73 0.00 0.00 68.15 67.66 2pwg h THR 445 CO 0.02 0.01 -2.28 -0.62 -0.25 0.00 0.00 175.52 172.40 2pwg n GLU 446 N -4.48 0.78 -3.55 4.72 4.71 -0.53 -4.86 120.64 117.42 2pwg n GLU 446 Ca 0.02 0.07 -0.41 0.00 -0.01 0.00 0.00 57.16 56.83 2pwg n GLU 446 Cb 0.26 -1.46 -0.08 0.00 -1.01 0.00 0.00 31.44 29.15 2pwg n GLU 446 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2pwg s ILE 447 N -2.45 4.26 0.07 -3.67 1.01 0.71 -4.98 121.20 116.14 2pwg s ILE 447 Ca -0.22 -1.91 -0.19 0.00 0.00 0.00 0.00 60.65 58.33 2pwg s ILE 447 Cb 0.07 -3.79 0.04 0.00 0.01 0.00 0.00 42.46 38.79 2pwg s ILE 447 CO 0.62 -0.80 0.45 0.54 0.00 0.00 0.00 174.94 175.75 2pwg s ASN 448 N 2.51 -0.32 0.14 3.58 2.20 -1.25 -4.35 114.94 117.45 2pwg s ASN 448 Ca 0.07 -0.03 -0.17 0.00 -0.94 0.00 0.00 52.86 51.79 2pwg s ASN 448 Cb -0.25 0.46 0.00 0.00 -2.00 0.00 0.00 41.25 39.46 2pwg s ASN 448 CO -0.01 -0.74 1.79 0.00 -2.94 0.00 0.00 177.10 175.20 2pwg h ALA 449 N 2.76 0.41 -0.95 3.54 0.00 -0.59 -2.75 119.26 121.68 2pwg h ALA 449 Ca -0.32 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.66 2pwg h ALA 449 Cb 1.22 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2pwg h ALA 449 CO 0.43 -0.17 0.60 0.00 0.00 0.00 0.00 179.25 180.12 2pwg h ALA 450 N 1.15 1.32 -0.11 0.00 0.00 -1.13 -0.04 119.26 120.44 2pwg h ALA 450 Ca 0.13 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2pwg h ALA 450 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2pwg h ALA 450 CO -0.06 0.35 -0.43 -0.09 0.00 0.00 0.00 179.25 179.02 2pwg h ARG 451 N 1.07 0.26 0.00 0.00 2.43 -1.78 -3.31 114.38 113.06 2pwg h ARG 451 Ca 0.42 -0.13 -0.27 0.00 -0.81 0.00 0.00 59.98 59.19 2pwg h ARG 451 Cb 0.20 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 2pwg h ARG 451 CO -0.18 0.65 -1.69 0.39 -1.51 0.00 0.00 179.97 177.63 2pwg n GLU 452 N -4.01 0.63 -0.35 0.20 1.02 -0.83 -4.29 120.64 113.01 2pwg n GLU 452 Ca -0.02 0.26 0.04 0.00 -0.02 0.00 0.00 57.16 57.43 2pwg n GLU 452 Cb 0.50 -1.78 0.20 0.00 -0.02 0.00 0.00 31.44 30.33 2pwg n GLU 452 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2pwg h ILE 453 N 0.00 0.99 -0.07 -3.67 2.04 -1.11 -1.71 117.51 113.98 2pwg h ILE 453 Ca -0.27 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2pwg h ILE 453 Cb 1.94 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2pwg h ILE 453 CO 0.07 0.19 0.00 0.61 0.00 0.00 0.00 178.15 179.02 2pwg n GLY 454 N -1.35 0.32 3.43 5.37 0.00 -1.26 -4.79 105.19 106.91 2pwg n GLY 454 Ca 0.16 -0.50 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 2pwg n GLY 454 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pwg s ASP 455 N -1.88 6.14 0.66 1.61 2.15 -0.64 -4.94 116.67 119.77 2pwg s ASP 455 Ca 0.35 -1.06 0.41 0.00 0.43 0.00 0.00 52.55 52.67 2pwg s ASP 455 Cb 0.20 -2.18 2.21 0.00 -0.30 0.00 0.00 42.92 42.85 2pwg s ASP 455 CO 0.31 -0.56 2.24 1.55 -0.17 0.00 0.00 175.17 178.54 2pwg h PRO 456 N 8.71 0.00 -0.32 4.34 0.13 -1.86 -1.76 132.00 141.23 2pwg h PRO 456 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2pwg h PRO 456 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2pwg h PRO 456 CO 0.81 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.21 2pwg n LYS 457 N -3.02 2.36 -1.51 0.86 5.02 -1.26 -4.69 118.16 115.92 2pwg n LYS 457 Ca -0.03 -2.05 -0.29 0.00 -2.02 0.00 0.00 58.31 53.92 2pwg n LYS 457 Cb 0.15 -1.49 0.12 0.00 -0.02 0.00 0.00 35.03 33.79 2pwg n LYS 457 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2pwg s SER 458 N -1.55 3.95 0.21 4.39 1.04 -0.66 -4.90 113.70 116.18 2pwg s SER 458 Ca 0.37 1.17 -0.07 0.00 0.48 0.00 0.00 55.95 57.89 2pwg s SER 458 Cb 0.22 -1.83 0.16 0.00 0.10 0.00 0.00 66.02 64.67 2pwg s SER 458 CO 0.31 -2.30 1.73 0.58 0.98 0.00 0.00 173.24 174.54 2pwg h VAL 459 N -1.32 1.26 -0.15 5.02 2.07 -1.88 -1.72 116.25 119.53 2pwg h VAL 459 Ca -0.49 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.09 2pwg h VAL 459 Cb 1.30 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2pwg h VAL 459 CO 0.60 0.37 -0.00 0.22 0.02 0.00 0.00 177.57 178.78 2pwg h TYR 460 N 1.04 -0.02 -0.60 1.57 5.03 -1.59 -1.32 116.97 121.08 2pwg h TYR 460 Ca 0.22 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.50 2pwg h TYR 460 Cb 0.38 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.66 2pwg h TYR 460 CO 0.03 -0.02 0.23 0.77 -1.32 0.00 0.00 178.16 177.85 2pwg h SER 461 N 0.04 0.81 -0.24 -2.11 0.02 -1.74 -0.95 113.55 109.38 2pwg h SER 461 Ca 0.07 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2pwg h SER 461 Cb 0.09 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2pwg h SER 461 CO -0.12 0.73 0.05 0.15 -1.14 0.00 0.00 176.83 176.50 2pwg h PHE 462 N 0.87 0.42 -0.43 3.45 3.57 -0.92 -0.73 116.94 123.18 2pwg h PHE 462 Ca 0.20 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.70 2pwg h PHE 462 Cb 0.18 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 2pwg h PHE 462 CO 0.01 0.50 0.17 1.88 -2.23 0.00 0.00 178.31 178.65 2pwg h TYR 463 N 0.22 0.31 -0.30 0.41 -1.99 -0.89 0.37 116.97 115.10 2pwg h TYR 463 Ca 0.08 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.87 2pwg h TYR 463 Cb 0.30 -0.08 -0.04 0.00 2.00 0.00 0.00 36.73 38.91 2pwg h TYR 463 CO 0.02 0.13 0.05 -0.09 -0.00 0.00 0.00 178.16 178.27 2pwg h ARG 464 N 0.35 0.15 -0.58 4.88 2.43 -0.93 0.25 114.38 120.93 2pwg h ARG 464 Ca 0.19 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2pwg h ARG 464 Cb 0.16 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2pwg h ARG 464 CO -0.18 0.10 0.20 -0.91 -1.51 0.00 0.00 179.97 177.67 2pwg h ASN 465 N 0.15 0.80 -0.14 -3.80 4.21 -0.65 -0.95 115.58 115.20 2pwg h ASN 465 Ca 0.14 -0.12 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 2pwg h ASN 465 Cb 0.15 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 2pwg h ASN 465 CO -0.19 0.74 0.02 -0.07 -1.29 0.00 0.00 177.43 176.65 2pwg h LEU 466 N 0.85 0.23 -0.36 1.61 3.38 -0.26 -1.03 115.31 119.72 2pwg h LEU 466 Ca 0.19 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2pwg h LEU 466 Cb 0.22 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2pwg h LEU 466 CO -0.01 0.44 0.13 0.40 0.09 0.00 0.00 178.44 179.49 2pwg h ILE 467 N 0.01 0.90 -0.32 1.22 2.04 -0.77 0.29 117.51 120.89 2pwg h ILE 467 Ca 0.04 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.87 2pwg h ILE 467 Cb 0.31 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 2pwg h ILE 467 CO 0.00 0.05 -0.08 -1.28 0.00 0.00 0.00 178.15 176.84 2pwg h SER 468 N 0.28 -0.31 -0.45 1.72 0.87 -1.04 -0.12 113.55 114.51 2pwg h SER 468 Ca 0.16 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 2pwg h SER 468 Cb 0.13 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2pwg h SER 468 CO -0.16 -0.11 0.24 0.40 -0.53 0.00 0.00 176.83 176.67 2pwg h ILE 469 N -0.00 1.16 -0.47 2.23 2.04 -0.32 -2.50 117.51 119.65 2pwg h ILE 469 Ca 0.15 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.61 2pwg h ILE 469 Cb 0.24 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2pwg h ILE 469 CO -0.33 0.17 0.31 -0.09 0.00 0.00 0.00 178.15 178.21 2pwg h ARG 470 N 0.58 0.62 -0.77 2.37 2.43 0.16 -1.98 114.38 117.80 2pwg h ARG 470 Ca 0.16 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.41 2pwg h ARG 470 Cb 0.05 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 2pwg h ARG 470 CO -0.03 0.41 0.50 0.45 -1.51 0.00 0.00 179.97 179.80 2pwg h HIS 471 N 0.63 0.66 -0.00 2.20 3.86 -0.76 -2.15 115.15 119.59 2pwg h HIS 471 Ca 0.17 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2pwg h HIS 471 Cb -0.07 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.19 2pwg h HIS 471 CO -0.04 0.29 -0.23 0.39 0.86 0.00 0.00 177.93 179.20 2pwg n GLU 472 N -4.50 0.49 -3.90 2.45 1.02 -0.81 -4.68 120.64 110.71 2pwg n GLU 472 Ca 0.14 -0.22 -0.30 0.00 -0.02 0.00 0.00 57.16 56.75 2pwg n GLU 472 Cb 0.40 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.18 2pwg n GLU 472 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2pwg s THR 473 N -2.66 1.96 0.26 2.62 2.01 -0.81 -5.00 115.64 114.01 2pwg s THR 473 Ca 0.22 -2.49 -0.06 0.00 0.31 0.00 0.00 61.69 59.67 2pwg s THR 473 Cb 0.19 -2.41 0.31 0.00 0.01 0.00 0.00 72.50 70.60 2pwg s THR 473 CO 0.55 -0.72 1.62 -0.65 -0.69 0.00 0.00 174.62 174.72 2pwg h PRO 474 N 7.23 0.08 -0.09 4.92 0.11 -1.83 -0.16 132.00 142.26 2pwg h PRO 474 Ca -0.06 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.07 2pwg h PRO 474 Cb 0.97 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 2pwg h PRO 474 CO 0.55 0.05 0.11 0.00 -0.21 0.00 0.00 178.00 178.51 2pwg h ALA 475 N 1.77 1.63 0.00 -0.75 0.00 -1.91 -1.58 119.26 118.42 2pwg h ALA 475 Ca 0.45 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 2pwg h ALA 475 Cb 0.81 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2pwg h ALA 475 CO -0.73 -0.16 -0.01 -0.07 0.00 0.00 0.00 179.25 178.28 2pwg h LEU 476 N 0.00 0.00 0.00 0.00 3.38 -1.33 -1.90 115.31 115.46 2pwg h LEU 476 Ca 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2pwg h LEU 476 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2pwg h LEU 476 CO -0.00 0.01 -1.16 -1.54 0.09 0.00 0.00 178.44 175.83 2pwg n SER 477 N -3.10 1.82 -0.96 -0.43 3.41 -0.64 -4.51 113.62 109.20 2pwg n SER 477 Ca 0.02 0.31 0.12 0.00 -0.26 0.00 0.00 58.87 59.06 2pwg n SER 477 Cb 0.44 -0.70 0.10 0.00 -0.26 0.00 0.00 64.21 63.79 2pwg n SER 477 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2pwg n THR 478 N -4.30 0.01 -1.28 6.66 -2.24 -0.90 -3.64 114.28 108.61 2pwg n THR 478 Ca -0.19 -0.51 -0.29 0.00 -2.27 0.00 0.00 64.05 60.79 2pwg n THR 478 Cb 0.53 1.49 0.15 0.00 -2.10 0.00 0.00 70.33 70.40 2pwg n THR 478 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2pwg s GLY 479 N -1.99 1.58 0.92 3.38 0.00 -0.71 -4.99 107.32 105.52 2pwg s GLY 479 Ca 0.28 -0.32 -0.12 0.00 0.00 0.00 0.00 44.72 44.57 2pwg s GLY 479 CO 0.30 0.24 1.10 -1.35 0.00 0.00 0.00 173.10 173.39 2pwg s SER 480 N -3.59 3.30 -0.02 1.64 1.04 -0.31 -4.71 113.70 111.05 2pwg s SER 480 Ca 0.64 1.30 0.02 0.00 0.48 0.00 0.00 55.95 58.39 2pwg s SER 480 Cb -0.17 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 63.98 2pwg s SER 480 CO 0.56 -2.72 -0.06 -0.47 0.98 0.00 0.00 173.24 171.53 2pwg s TYR 481 N -3.01 0.67 -0.02 5.02 5.04 -1.26 -2.24 117.35 121.55 2pwg s TYR 481 Ca 0.64 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 2pwg s TYR 481 Cb -0.17 -0.49 0.03 0.00 0.35 0.00 0.00 41.96 41.67 2pwg s TYR 481 CO 0.56 -0.07 0.02 0.50 -1.34 0.00 0.00 175.55 175.23 2pwg s ARG 482 N 0.19 0.04 -0.20 4.97 3.52 -0.72 -4.99 118.95 121.76 2pwg s ARG 482 Ca -0.02 0.16 -0.23 0.00 -0.13 0.00 0.00 55.73 55.51 2pwg s ARG 482 Cb -0.07 -0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 33.01 2pwg s ARG 482 CO -0.00 -0.16 0.72 0.34 -0.81 0.00 0.00 175.30 175.39 2pwg s ASP 483 N 1.04 6.79 0.32 -2.12 -1.08 -1.26 -1.70 116.67 118.65 2pwg s ASP 483 Ca -0.09 0.96 0.07 0.00 -0.52 0.00 0.00 52.55 52.98 2pwg s ASP 483 Cb -0.13 -2.39 0.53 0.00 -1.46 0.00 0.00 42.92 39.47 2pwg s ASP 483 CO -0.03 -0.35 1.75 0.40 0.52 0.00 0.00 175.17 177.46 2pwg h ILE 484 N 5.23 1.28 -1.31 4.11 2.04 -1.78 -3.41 117.51 123.67 2pwg h ILE 484 Ca -0.29 -1.36 -0.22 0.00 1.00 0.00 0.00 64.86 63.98 2pwg h ILE 484 Cb 1.13 1.59 -0.22 0.00 -0.74 0.00 0.00 36.82 38.58 2pwg h ILE 484 CO 0.81 0.41 -0.58 -0.62 0.00 0.00 0.00 178.15 178.17 2pwg s ASP 485 N -6.88 -0.74 0.66 1.72 2.15 -1.26 -5.02 116.67 107.31 2pwg s ASP 485 Ca -0.05 -1.72 0.23 0.00 0.43 0.00 0.00 52.55 51.44 2pwg s ASP 485 Cb 0.14 1.41 1.23 0.00 -0.30 0.00 0.00 42.92 45.40 2pwg s ASP 485 CO 0.76 -0.12 1.70 -0.65 -0.17 0.00 0.00 175.17 176.69 2pwg h PRO 486 N 5.75 0.00 -0.01 4.34 0.11 -1.95 -1.38 132.00 138.87 2pwg h PRO 486 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2pwg h PRO 486 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2pwg h PRO 486 CO 0.10 0.00 -0.68 -1.13 -0.21 0.00 0.00 178.00 176.09 2pwg n SER 487 N -2.83 1.38 -4.66 -2.05 3.41 -1.26 -4.63 113.62 102.98 2pwg n SER 487 Ca -0.01 -1.14 -0.43 0.00 -0.26 0.00 0.00 58.87 57.04 2pwg n SER 487 Cb 0.55 0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 65.12 2pwg n SER 487 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2pwg s ASN 488 N -2.74 6.85 -0.02 4.04 3.84 -0.52 -4.81 114.94 121.58 2pwg s ASN 488 Ca 0.14 1.89 0.21 0.00 0.21 0.00 0.00 52.86 55.31 2pwg s ASN 488 Cb 0.17 -2.54 0.62 0.00 -0.55 0.00 0.00 41.25 38.96 2pwg s ASN 488 CO 0.70 -0.81 1.52 0.00 -2.79 0.00 0.00 177.10 175.72 2pwg n ALA 489 N 6.71 2.50 -0.03 1.71 0.00 -1.26 -3.94 120.51 126.20 2pwg n ALA 489 Ca 0.15 -1.25 -0.07 0.00 0.00 0.00 0.00 53.44 52.27 2pwg n ALA 489 Cb 0.44 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 2pwg n ALA 489 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pwg n ASP 490 N 1.44 0.67 -4.15 0.00 9.92 -1.26 -4.18 116.55 119.00 2pwg n ASP 490 Ca 0.23 0.11 -0.32 0.00 -0.53 0.00 0.00 54.79 54.28 2pwg n ASP 490 Cb 0.63 -0.26 -0.16 0.00 -0.64 0.00 0.00 41.12 40.68 2pwg n ASP 490 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2pwg s VAL 491 N -2.16 2.02 -0.30 2.53 1.01 -1.26 -0.74 120.40 121.50 2pwg s VAL 491 Ca -0.10 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.75 2pwg s VAL 491 Cb 0.03 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 2pwg s VAL 491 CO 0.13 0.54 0.57 -0.47 0.00 0.00 0.00 175.10 175.87 2pwg s TYR 492 N 0.95 3.22 -0.02 5.22 5.04 0.14 -4.87 117.35 127.02 2pwg s TYR 492 Ca -0.04 0.53 0.02 0.00 -2.44 0.00 0.00 57.07 55.14 2pwg s TYR 492 Cb -0.15 -2.90 0.01 0.00 0.35 0.00 0.00 41.96 39.27 2pwg s TYR 492 CO -0.05 -0.43 -0.07 0.00 -1.34 0.00 0.00 175.55 173.67 2pwg s ALA 493 N 2.48 0.70 0.22 3.97 0.00 -1.26 -0.65 121.76 127.22 2pwg s ALA 493 Ca 0.23 -0.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.77 2pwg s ALA 493 Cb -0.15 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.71 2pwg s ALA 493 CO 0.11 0.10 0.57 1.52 0.00 0.00 0.00 175.76 178.06 2pwg s TYR 494 N 0.27 -0.11 0.22 0.00 1.13 -0.57 -2.04 117.35 116.25 2pwg s TYR 494 Ca -0.04 -0.26 0.11 0.00 -1.41 0.00 0.00 57.07 55.48 2pwg s TYR 494 Cb -0.08 0.46 -0.05 0.00 -1.10 0.00 0.00 41.96 41.19 2pwg s TYR 494 CO 0.00 -1.01 -0.17 0.95 -2.51 0.00 0.00 175.55 172.81 2pwg s THR 495 N -3.89 2.69 -0.05 -3.49 -4.23 -0.69 -0.15 115.64 105.83 2pwg s THR 495 Ca 0.11 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.60 2pwg s THR 495 Cb -0.02 -2.35 0.02 0.00 1.34 0.00 0.00 72.50 71.48 2pwg s THR 495 CO 0.00 -0.21 -0.08 -0.13 -0.54 0.00 0.00 174.62 173.66 2pwg s ARG 496 N -3.03 1.17 -0.00 3.99 1.81 -0.55 -1.75 118.95 120.59 2pwg s ARG 496 Ca 0.25 -0.25 -0.02 0.00 -1.72 0.00 0.00 55.73 53.99 2pwg s ARG 496 Cb -0.07 -1.05 -0.00 0.00 -0.45 0.00 0.00 34.95 33.37 2pwg s ARG 496 CO 0.13 -0.01 0.04 0.45 -0.68 0.00 0.00 175.30 175.24 2pwg s SER 497 N 0.69 0.06 -0.28 0.23 0.15 -0.95 -0.65 113.70 112.95 2pwg s SER 497 Ca -0.11 -0.16 -0.15 0.00 0.70 0.00 0.00 55.95 56.22 2pwg s SER 497 Cb -0.14 0.13 0.09 0.00 -1.71 0.00 0.00 66.02 64.40 2pwg s SER 497 CO 0.02 -0.19 0.71 -1.58 1.20 0.00 0.00 173.24 173.39 2pwg s GLN 498 N -0.78 0.66 -1.29 5.44 0.74 -0.23 -1.16 119.66 123.05 2pwg s GLN 498 Ca -0.09 1.22 -0.00 0.00 0.05 0.00 0.00 55.36 56.54 2pwg s GLN 498 Cb -0.05 0.27 -0.00 0.00 1.10 0.00 0.00 33.01 34.32 2pwg s GLN 498 CO -0.00 -0.15 0.74 -0.25 -0.55 0.00 0.00 175.29 175.08 2pwg n ASP 499 N 4.48 -1.35 0.00 6.67 8.00 -1.26 -2.24 116.55 130.85 2pwg n ASP 499 Ca -0.18 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.52 2pwg n ASP 499 Cb 0.57 -4.21 0.00 0.00 -0.02 0.00 0.00 41.12 37.47 2pwg n ASP 499 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pwg n GLY 500 N -1.51 3.03 3.73 0.44 0.00 -1.26 -5.00 105.19 104.62 2pwg n GLY 500 Ca -0.30 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 2pwg n GLY 500 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pwg s GLU 501 N -0.09 4.40 -0.01 1.61 0.41 -0.95 -5.07 118.70 118.99 2pwg s GLU 501 Ca 0.00 0.75 0.06 0.00 -0.41 0.00 0.00 54.97 55.36 2pwg s GLU 501 Cb 0.00 -3.43 -0.01 0.00 -1.78 0.00 0.00 34.13 28.91 2pwg s GLU 501 CO 0.00 0.14 -0.19 0.99 -0.49 0.00 0.00 175.26 175.71 2pwg s THR 502 N 0.59 1.46 0.11 3.63 2.01 -1.26 -1.06 115.64 121.12 2pwg s THR 502 Ca 0.33 -0.79 0.10 0.00 0.31 0.00 0.00 61.69 61.64 2pwg s THR 502 Cb -0.17 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 2pwg s THR 502 CO 0.16 0.41 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.94 2pwg s TYR 503 N -0.43 2.15 -0.07 4.92 1.51 0.18 -2.15 117.35 123.46 2pwg s TYR 503 Ca 0.07 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.79 2pwg s TYR 503 Cb -0.07 -1.19 -0.01 0.00 -0.11 0.00 0.00 41.96 40.58 2pwg s TYR 503 CO -0.01 0.27 -0.24 -1.17 -1.11 0.00 0.00 175.55 173.29 2pwg s LEU 504 N -1.88 2.06 -0.11 -1.29 2.96 0.15 -1.48 118.68 119.09 2pwg s LEU 504 Ca 0.11 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2pwg s LEU 504 Cb -0.10 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 2pwg s LEU 504 CO 0.05 0.21 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.41 2pwg s VAL 505 N -0.01 2.50 -0.09 1.68 1.01 0.79 0.23 120.40 126.51 2pwg s VAL 505 Ca -0.08 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 2pwg s VAL 505 Cb -0.15 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.26 2pwg s VAL 505 CO 0.05 0.55 -0.05 -0.69 0.00 0.00 0.00 175.10 174.95 2pwg s VAL 506 N 0.25 0.79 -0.12 2.92 1.01 -0.79 -1.52 120.40 122.94 2pwg s VAL 506 Ca -0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 2pwg s VAL 506 Cb -0.16 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.40 2pwg s VAL 506 CO 0.07 0.32 -0.07 -0.69 0.00 0.00 0.00 175.10 174.73 2pwg s VAL 507 N 1.62 1.02 -0.29 2.92 1.01 0.17 -1.05 120.40 125.80 2pwg s VAL 507 Ca 0.02 -0.30 -0.26 0.00 0.00 0.00 0.00 61.98 61.44 2pwg s VAL 507 Cb -0.13 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.21 2pwg s VAL 507 CO -0.05 0.35 0.90 0.21 0.00 0.00 0.00 175.10 176.50 2pwg s ASN 508 N 1.71 6.82 0.00 3.32 2.47 0.10 -0.69 114.94 128.68 2pwg s ASN 508 Ca 0.05 0.93 0.21 0.00 0.42 0.00 0.00 52.86 54.46 2pwg s ASN 508 Cb -0.13 -2.46 0.60 0.00 -1.45 0.00 0.00 41.25 37.81 2pwg s ASN 508 CO -0.08 -0.67 1.48 0.49 -3.72 0.00 0.00 177.10 174.60 2pwg n PHE 509 N 6.34 0.33 -4.12 0.43 3.01 0.08 -3.44 117.46 120.10 2pwg n PHE 509 Ca 0.07 -0.16 -0.31 0.00 1.01 0.00 0.00 57.45 58.06 2pwg n PHE 509 Cb 0.47 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.87 2pwg n PHE 509 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2pwg s LYS 510 N -1.67 2.78 -0.10 -1.08 -0.14 -1.25 -4.90 119.74 113.38 2pwg s LYS 510 Ca 0.34 -0.70 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 2pwg s LYS 510 Cb 0.19 -2.67 0.10 0.00 -1.68 0.00 0.00 37.83 33.77 2pwg s LYS 510 CO 0.28 0.58 1.51 0.00 -0.76 0.00 0.00 175.35 176.95 2pwg n ALA 511 N 0.71 3.61 -2.59 5.17 0.00 -1.26 -1.41 120.51 124.75 2pwg n ALA 511 Ca -0.11 -0.55 -0.09 0.00 0.00 0.00 0.00 53.44 52.69 2pwg n ALA 511 Cb 0.52 -1.10 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 2pwg n ALA 511 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2pwg s GLU 512 N -0.62 0.76 0.44 0.00 2.02 -1.26 -4.82 118.70 115.22 2pwg s GLU 512 Ca 0.11 -0.89 -0.25 0.00 0.02 0.00 0.00 54.97 53.95 2pwg s GLU 512 Cb 0.09 0.30 -0.08 0.00 0.10 0.00 0.00 34.13 34.54 2pwg s GLU 512 CO 0.01 -0.22 1.29 -1.25 0.02 0.00 0.00 175.26 175.10 2pwg s PRO 513 N -3.45 3.79 0.13 0.39 0.04 -1.26 -3.99 135.00 130.64 2pwg s PRO 513 Ca 0.02 2.09 -0.03 0.00 0.04 0.00 0.00 61.00 63.13 2pwg s PRO 513 Cb 0.03 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 2pwg s PRO 513 CO -0.09 -0.62 0.11 1.03 0.04 0.00 0.00 177.00 177.46 2pwg s ARG 514 N -2.45 0.96 0.13 4.56 1.81 -0.79 -4.98 118.95 118.21 2pwg s ARG 514 Ca 0.61 -1.36 0.11 0.00 -1.72 0.00 0.00 55.73 53.36 2pwg s ARG 514 Cb -0.37 0.27 -0.04 0.00 -0.45 0.00 0.00 34.95 34.37 2pwg s ARG 514 CO 0.46 -0.29 -0.26 -1.12 -0.68 0.00 0.00 175.30 173.41 2pwg s SER 515 N -3.02 3.24 -0.04 0.23 0.01 -1.26 0.24 113.70 113.09 2pwg s SER 515 Ca 0.22 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2pwg s SER 515 Cb 0.07 -0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.11 2pwg s SER 515 CO 0.01 0.16 -0.01 0.12 0.41 0.00 0.00 173.24 173.92 2pwg s PHE 516 N -1.14 0.53 -0.21 2.43 5.36 -0.22 -4.96 117.98 119.77 2pwg s PHE 516 Ca 0.14 -0.10 -0.07 0.00 -0.96 0.00 0.00 56.93 55.95 2pwg s PHE 516 Cb -0.10 -0.58 -0.03 0.00 -0.34 0.00 0.00 43.02 41.97 2pwg s PHE 516 CO 0.06 -0.20 0.04 0.99 -1.46 0.00 0.00 175.22 174.66 2pwg s THR 517 N 1.24 4.33 0.69 0.12 2.01 -1.26 0.02 115.64 122.79 2pwg s THR 517 Ca -0.06 -0.18 -0.14 0.00 0.31 0.00 0.00 61.69 61.61 2pwg s THR 517 Cb -0.13 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.41 2pwg s THR 517 CO -0.02 0.40 1.12 -0.76 -0.69 0.00 0.00 174.62 174.68 2pwg s LEU 518 N 1.04 3.31 0.53 4.42 1.43 -1.01 -4.97 118.68 123.43 2pwg s LEU 518 Ca 0.03 2.04 -0.21 0.00 -1.03 0.00 0.00 54.13 54.96 2pwg s LEU 518 Cb -0.14 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.45 2pwg s LEU 518 CO 0.03 -1.84 0.96 -2.65 0.23 0.00 0.00 176.35 173.07 2pwg n PRO 519 N -2.68 1.08 -1.59 1.29 -0.02 -1.26 -4.82 135.00 127.00 2pwg n PRO 519 Ca 0.11 0.40 -0.47 0.00 -2.02 0.00 0.00 63.50 61.52 2pwg n PRO 519 Cb 0.52 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 2pwg n PRO 519 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2pwg n ASP 520 N -0.16 1.48 0.00 2.55 8.00 -1.26 -0.88 116.55 126.28 2pwg n ASP 520 Ca 0.12 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.77 2pwg n ASP 520 Cb 0.44 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 2pwg n ASP 520 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pwg n GLY 521 N 1.78 1.56 3.78 0.44 0.00 -1.26 -5.01 105.19 106.49 2pwg n GLY 521 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2pwg n GLY 521 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2pwg s MET 522 N -0.02 3.93 0.03 1.61 0.00 -0.06 -4.97 119.30 119.82 2pwg s MET 522 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 55.69 55.54 2pwg s MET 522 Cb 0.00 -3.34 -0.02 0.00 0.00 0.00 0.00 34.83 31.48 2pwg s MET 522 CO 0.00 0.47 -0.09 -1.01 0.00 0.00 0.00 175.02 174.39 2pwg s HIS 523 N -0.14 0.77 0.19 4.11 3.76 -1.26 -4.71 115.29 118.01 2pwg s HIS 523 Ca 0.11 -0.34 -0.31 0.00 -0.15 0.00 0.00 55.06 54.38 2pwg s HIS 523 Cb -0.11 -0.47 -0.09 0.00 1.11 0.00 0.00 32.58 33.01 2pwg s HIS 523 CO 0.00 -0.03 1.43 0.42 -0.85 0.00 0.00 174.74 175.72 2pwg s ILE 524 N -0.85 2.93 -0.17 0.60 -1.09 -0.20 -0.19 121.20 122.22 2pwg s ILE 524 Ca -0.03 0.72 -0.07 0.00 -2.23 0.00 0.00 60.65 59.04 2pwg s ILE 524 Cb -0.07 -3.46 -0.08 0.00 -1.58 0.00 0.00 42.46 37.27 2pwg s ILE 524 CO 0.00 0.09 -0.21 0.00 -1.23 0.00 0.00 174.94 173.59 2pwg n ALA 525 N 3.16 1.84 -2.89 9.38 0.00 0.88 -0.21 120.51 132.67 2pwg n ALA 525 Ca 0.09 -0.69 -0.11 0.00 0.00 0.00 0.00 53.44 52.73 2pwg n ALA 525 Cb 0.41 0.25 -0.08 0.00 0.00 0.00 0.00 19.45 20.03 2pwg n ALA 525 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2pwg s GLU 526 N -2.32 0.78 -0.24 0.00 -1.05 -0.57 -4.74 118.70 110.56 2pwg s GLU 526 Ca -0.24 -0.62 -0.07 0.00 -0.15 0.00 0.00 54.97 53.90 2pwg s GLU 526 Cb 0.09 0.33 -0.03 0.00 -0.44 0.00 0.00 34.13 34.08 2pwg s GLU 526 CO 0.32 -0.25 0.05 0.99 0.95 0.00 0.00 175.26 177.32 2pwg s THR 527 N -2.78 4.16 -0.05 1.83 2.01 -1.26 -1.15 115.64 118.41 2pwg s THR 527 Ca -0.03 -0.22 -0.13 0.00 0.31 0.00 0.00 61.69 61.61 2pwg s THR 527 Cb -0.00 -2.94 -0.31 0.00 0.01 0.00 0.00 72.50 69.26 2pwg s THR 527 CO -0.05 0.35 0.68 -0.07 -0.69 0.00 0.00 174.62 174.85 2pwg h LEU 528 N 8.21 0.59 -7.00 4.42 4.07 -1.58 -3.49 115.31 120.53 2pwg h LEU 528 Ca -0.39 -0.92 0.12 0.00 0.08 0.00 0.00 57.88 56.77 2pwg h LEU 528 Cb 1.17 -0.19 -0.21 0.00 1.08 0.00 0.00 40.66 42.51 2pwg h LEU 528 CO 0.58 1.73 0.59 -0.51 -1.08 0.00 0.00 178.44 179.75 2pwg s ILE 529 N -2.55 0.00 0.08 1.22 2.07 -1.20 -4.99 121.20 115.83 2pwg s ILE 529 Ca -0.16 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.00 2pwg s ILE 529 Cb 0.05 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.63 2pwg s ILE 529 CO 0.84 0.00 0.16 -1.61 -1.91 0.00 0.00 174.94 172.43 2pwg s GLU 530 N -1.74 0.80 -0.00 3.50 2.02 -1.26 -1.06 118.70 120.95 2pwg s GLU 530 Ca 0.02 -0.95 0.03 0.00 0.02 0.00 0.00 54.97 54.10 2pwg s GLU 530 Cb -0.01 0.32 -0.01 0.00 0.10 0.00 0.00 34.13 34.53 2pwg s GLU 530 CO -0.02 -0.24 -0.11 -1.54 0.02 0.00 0.00 175.26 173.37 2pwg s SER 531 N -2.76 1.30 -1.63 -0.19 1.04 0.05 -4.79 113.70 106.72 2pwg s SER 531 Ca 0.04 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.23 2pwg s SER 531 Cb 0.04 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.03 2pwg s SER 531 CO -0.10 0.12 0.20 -1.20 0.98 0.00 0.00 173.24 173.24 2pwg n SER 532 N 2.71 -5.71 -4.34 7.02 7.64 -1.26 -2.42 113.62 117.27 2pwg n SER 532 Ca -0.14 -0.09 -0.32 0.00 1.01 0.00 0.00 58.87 59.33 2pwg n SER 532 Cb 0.56 -4.71 -0.15 0.00 -1.01 0.00 0.00 64.21 58.90 2pwg n SER 532 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2pwg s SER 533 N -2.27 3.50 0.28 6.43 0.15 -1.26 -4.52 113.70 116.01 2pwg s SER 533 Ca 0.11 -0.40 0.24 0.00 0.70 0.00 0.00 55.95 56.60 2pwg s SER 533 Cb -0.05 -1.04 0.46 0.00 -1.71 0.00 0.00 66.02 63.68 2pwg s SER 533 CO 0.13 0.25 1.55 1.55 1.20 0.00 0.00 173.24 177.91 2pwg h PRO 534 N 6.07 0.00 -1.74 5.44 0.13 -1.97 -3.47 132.00 136.46 2pwg h PRO 534 Ca -0.33 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.82 2pwg h PRO 534 Cb 1.18 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.07 2pwg h PRO 534 CO 0.50 0.00 0.36 0.00 -0.23 0.00 0.00 178.00 178.62 2pwg s ALA 535 N -3.19 -1.90 0.54 -0.56 0.00 -1.26 -5.16 121.76 110.24 2pwg s ALA 535 Ca 0.07 1.84 -0.18 0.00 0.00 0.00 0.00 51.96 53.69 2pwg s ALA 535 Cb 0.09 -1.17 -0.06 0.00 0.00 0.00 0.00 23.12 21.98 2pwg s ALA 535 CO 0.67 -0.28 1.05 0.00 0.00 0.00 0.00 175.76 177.20 2pwg s ALA 536 N 0.01 2.80 0.95 0.00 0.00 -1.26 -5.01 121.76 119.24 2pwg s ALA 536 Ca 0.01 0.51 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 2pwg s ALA 536 Cb -0.04 -3.25 0.16 0.00 0.00 0.00 0.00 23.12 19.99 2pwg s ALA 536 CO -0.02 -0.57 1.09 -1.25 0.00 0.00 0.00 175.76 175.01 2pwg s PRO 537 N -3.65 0.82 0.25 0.00 0.04 -1.26 -4.98 135.00 126.22 2pwg s PRO 537 Ca 0.66 1.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.59 2pwg s PRO 537 Cb -0.16 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 2pwg s PRO 537 CO 0.29 -2.61 0.65 0.00 0.04 0.00 0.00 177.00 175.37 2pwg s ALA 538 N -2.76 3.45 0.19 8.56 0.00 -1.26 -4.92 121.76 125.01 2pwg s ALA 538 Ca 0.65 -0.05 -0.32 0.00 0.00 0.00 0.00 51.96 52.24 2pwg s ALA 538 Cb -0.21 -2.65 -0.15 0.00 0.00 0.00 0.00 23.12 20.12 2pwg s ALA 538 CO 0.59 0.40 1.21 0.00 0.00 0.00 0.00 175.76 177.95 2pwg n ALA 539 N 0.09 -0.35 0.00 0.00 0.00 -1.26 -0.63 120.51 118.36 2pwg n ALA 539 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2pwg n ALA 539 Cb 0.52 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2pwg n ALA 539 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwg n GLY 540 N 2.01 1.80 3.50 0.00 0.00 0.71 -5.00 105.19 108.20 2pwg n GLY 540 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2pwg n GLY 540 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwg n ALA 541 N -1.34 -0.97 -0.49 4.61 0.00 0.20 -4.40 120.51 118.12 2pwg n ALA 541 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.64 2pwg n ALA 541 Cb 0.00 -1.87 0.05 0.00 0.00 0.00 0.00 19.45 17.63 2pwg n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pwg n ALA 542 N -0.83 2.04 -3.32 0.00 0.00 -1.26 -1.03 120.51 116.11 2pwg n ALA 542 Ca 0.11 -1.56 -0.09 0.00 0.00 0.00 0.00 53.44 51.90 2pwg n ALA 542 Cb 0.40 -0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.66 2pwg n ALA 542 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2pwg s SER 543 N -1.62 -0.25 0.01 0.00 0.15 -1.26 -2.42 113.70 108.30 2pwg s SER 543 Ca 0.11 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.26 2pwg s SER 543 Cb 0.10 0.58 -0.01 0.00 -1.71 0.00 0.00 66.02 64.99 2pwg s SER 543 CO 0.01 -1.07 -0.01 -0.76 1.20 0.00 0.00 173.24 172.61 2pwg s LEU 544 N -2.88 2.07 -0.21 3.45 1.43 0.10 -4.96 118.68 117.68 2pwg s LEU 544 Ca 0.10 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2pwg s LEU 544 Cb -0.01 0.01 -0.02 0.00 0.03 0.00 0.00 46.19 46.19 2pwg s LEU 544 CO -0.02 -0.08 0.01 -1.61 0.23 0.00 0.00 176.35 174.87 2pwg s GLU 545 N -0.44 3.59 -0.07 1.70 0.41 -1.26 -1.05 118.70 121.57 2pwg s GLU 545 Ca -0.04 -0.53 -0.00 0.00 -0.41 0.00 0.00 54.97 53.98 2pwg s GLU 545 Cb -0.03 -3.11 -0.03 0.00 -1.78 0.00 0.00 34.13 29.17 2pwg s GLU 545 CO -0.00 -0.06 -0.03 -0.51 -0.49 0.00 0.00 175.26 174.17 2pwg s LEU 546 N 1.19 3.38 0.76 1.80 1.43 0.14 -4.99 118.68 122.38 2pwg s LEU 546 Ca 0.03 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 2pwg s LEU 546 Cb -0.14 -1.76 0.06 0.00 0.03 0.00 0.00 46.19 44.38 2pwg s LEU 546 CO 0.01 0.37 1.12 -1.10 0.23 0.00 0.00 176.35 176.98 2pwg s GLN 547 N -0.87 2.20 0.31 1.70 -1.52 -1.26 -1.88 119.66 118.35 2pwg s GLN 547 Ca 0.13 0.09 -0.30 0.00 -1.95 0.00 0.00 55.36 53.34 2pwg s GLN 547 Cb -0.11 -2.02 -0.11 0.00 -0.22 0.00 0.00 33.01 30.54 2pwg s GLN 547 CO 0.02 -1.39 1.58 -2.30 -0.25 0.00 0.00 175.29 172.95 2pwg n PRO 548 N -3.15 2.73 -1.84 2.91 -0.02 -1.26 -2.00 135.00 132.37 2pwg n PRO 548 Ca 0.08 0.97 -0.15 0.00 -2.02 0.00 0.00 63.50 62.37 2pwg n PRO 548 Cb 0.60 -2.74 -0.04 0.00 -0.02 0.00 0.00 33.50 31.30 2pwg n PRO 548 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2pwg n TRP 549 N 1.79 -0.70 -2.36 6.00 7.02 -0.50 -4.90 117.44 123.80 2pwg n TRP 549 Ca 0.07 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.18 2pwg n TRP 549 Cb 0.37 -2.91 -0.02 0.00 -2.42 0.00 0.00 31.31 26.33 2pwg n TRP 549 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 2pwg s GLN 550 N -3.98 3.96 0.05 -0.99 0.74 -0.85 -4.55 119.66 114.05 2pwg s GLN 550 Ca 0.00 1.71 0.01 0.00 0.05 0.00 0.00 55.36 57.13 2pwg s GLN 550 Cb 0.00 -2.52 -0.03 0.00 1.10 0.00 0.00 33.01 31.56 2pwg s GLN 550 CO 0.00 -0.36 -0.05 -1.54 -0.55 0.00 0.00 175.29 172.78 2pwg s SER 551 N -1.36 0.72 0.03 6.67 1.04 -1.02 0.02 113.70 119.80 2pwg s SER 551 Ca 0.60 -0.75 -0.27 0.00 0.48 0.00 0.00 55.95 56.00 2pwg s SER 551 Cb -0.27 0.10 0.09 0.00 0.10 0.00 0.00 66.02 66.04 2pwg s SER 551 CO 0.33 -0.38 0.78 -0.83 0.98 0.00 0.00 173.24 174.12 2pwg s GLY 552 N -2.22 -0.51 -0.08 7.32 0.00 -0.21 -0.77 107.32 110.84 2pwg s GLY 552 Ca -0.02 0.96 0.03 0.00 0.00 0.00 0.00 44.72 45.70 2pwg s GLY 552 CO -0.03 0.41 -0.18 -0.42 0.00 0.00 0.00 173.10 172.87 2pwg s ILE 553 N -2.94 1.57 0.02 0.90 1.01 -0.22 -1.89 121.20 119.66 2pwg s ILE 553 Ca 0.01 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.94 2pwg s ILE 553 Cb -0.01 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 2pwg s ILE 553 CO -0.07 0.45 -0.09 -0.31 0.00 0.00 0.00 174.94 174.92 2pwg s TYR 554 N 0.42 0.79 -0.11 3.97 1.51 0.14 -1.32 117.35 122.74 2pwg s TYR 554 Ca -0.15 -0.29 -0.16 0.00 -1.01 0.00 0.00 57.07 55.46 2pwg s TYR 554 Cb -0.16 -0.48 -0.05 0.00 -0.11 0.00 0.00 41.96 41.16 2pwg s TYR 554 CO 0.06 -0.02 0.41 0.21 -1.11 0.00 0.00 175.55 175.10 2pwg s LYS 555 N -0.84 4.25 0.42 -0.62 2.20 -0.30 0.30 119.74 125.15 2pwg s LYS 555 Ca -0.01 0.34 0.07 0.00 -0.36 0.00 0.00 55.97 56.00 2pwg s LYS 555 Cb -0.06 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 2pwg s LYS 555 CO 0.00 0.27 0.21 0.14 -0.36 0.00 0.00 175.35 175.61 2pwg s VAL 556 N 0.30 2.29 0.00 4.02 -7.23 -0.91 -0.08 120.40 118.79 2pwg s VAL 556 Ca 0.23 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2pwg s VAL 556 Cb -0.15 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.84 2pwg s VAL 556 CO 0.09 0.00 0.00 2.29 -0.31 0.00 0.00 175.10 177.17