#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8f s VAL 4 N 0.00 3.51 -0.04 3.15 0.11 -1.26 -4.79 120.40 121.08 1u8f s VAL 4 Ca 0.00 1.39 -0.20 0.00 -2.93 0.00 0.00 61.98 60.24 1u8f s VAL 4 Cb 0.00 -3.84 -0.05 0.00 -1.53 0.00 0.00 36.38 30.97 1u8f s VAL 4 CO 0.00 0.24 0.59 -0.54 -3.33 0.00 0.00 175.10 172.05 1u8f s LYS 5 N -1.82 4.34 0.09 1.54 1.02 -1.26 -1.56 119.74 122.09 1u8f s LYS 5 Ca 0.49 0.70 0.08 0.00 0.02 0.00 0.00 55.97 57.26 1u8f s LYS 5 Cb -0.29 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 1u8f s LYS 5 CO 0.37 0.27 -0.21 0.08 -0.92 0.00 0.00 175.35 174.94 1u8f s VAL 6 N 0.16 1.73 0.10 3.17 1.01 0.87 -0.81 120.40 126.63 1u8f s VAL 6 Ca 0.31 -1.48 0.09 0.00 0.00 0.00 0.00 61.98 60.90 1u8f s VAL 6 Cb -0.17 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1u8f s VAL 6 CO 0.16 0.01 -0.21 -0.83 0.00 0.00 0.00 175.10 174.22 1u8f s GLY 7 N -1.76 1.62 -0.12 4.51 0.00 0.15 -0.43 107.32 111.29 1u8f s GLY 7 Ca 0.07 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.47 1u8f s GLY 7 CO 0.04 -1.30 -0.19 0.14 0.00 0.00 0.00 173.10 171.79 1u8f s VAL 8 N -1.05 1.83 -0.34 1.40 1.01 0.16 -0.40 120.40 123.01 1u8f s VAL 8 Ca 0.16 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1u8f s VAL 8 Cb -0.10 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1u8f s VAL 8 CO 0.07 0.50 0.17 0.21 0.00 0.00 0.00 175.10 176.06 1u8f s ASN 9 N 0.86 5.61 0.00 3.32 2.47 0.37 -0.85 114.94 126.71 1u8f s ASN 9 Ca -0.08 -0.73 0.00 0.00 0.42 0.00 0.00 52.86 52.48 1u8f s ASN 9 Cb -0.15 -2.01 0.00 0.00 -1.45 0.00 0.00 41.25 37.64 1u8f s ASN 9 CO -0.01 -0.27 0.00 0.61 -3.72 0.00 0.00 177.10 173.71 1u8f n GLY 10 N 4.98 0.39 2.59 1.21 0.00 -0.15 -1.17 105.19 113.04 1u8f n GLY 10 Ca -0.13 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1u8f n GLY 10 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u8f n PHE 11 N 1.18 2.19 -0.98 1.61 7.35 -1.26 -3.79 117.46 123.77 1u8f n PHE 11 Ca 0.00 -2.26 0.00 0.00 -0.76 0.00 0.00 57.45 54.43 1u8f n PHE 11 Cb 0.00 -1.42 0.00 0.00 0.35 0.00 0.00 39.48 38.41 1u8f n PHE 11 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1u8f n GLY 12 N 0.68 1.58 0.21 7.13 0.00 -1.26 -4.48 105.19 109.05 1u8f n GLY 12 Ca 0.53 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 1u8f n GLY 12 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1u8f h ARG 13 N 0.00 -0.21 -0.21 1.61 2.47 -1.93 0.19 114.38 116.30 1u8f h ARG 13 Ca 0.00 0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 58.57 1u8f h ARG 13 Cb 0.00 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1u8f h ARG 13 CO 0.00 -0.14 -0.49 0.82 0.56 0.00 0.00 179.97 180.72 1u8f h ILE 14 N -0.22 1.31 -0.41 2.04 1.08 -1.91 -1.77 117.51 117.63 1u8f h ILE 14 Ca 0.08 -1.72 0.01 0.00 -0.39 0.00 0.00 64.86 62.84 1u8f h ILE 14 Cb 0.34 1.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.92 1u8f h ILE 14 CO -0.22 0.54 0.27 1.23 -0.69 0.00 0.00 178.15 179.27 1u8f h GLY 15 N 0.40 0.57 1.39 5.37 0.00 -1.60 0.22 103.07 109.42 1u8f h GLY 15 Ca -0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 47.33 46.97 1u8f h GLY 15 CO 0.11 0.20 -0.46 3.21 0.00 0.00 0.00 176.54 179.59 1u8f h ARG 16 N 0.54 0.65 0.00 4.80 3.08 -0.67 -2.30 114.38 120.49 1u8f h ARG 16 Ca 0.15 -0.37 -0.14 0.00 0.07 0.00 0.00 59.98 59.69 1u8f h ARG 16 Cb -0.05 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1u8f h ARG 16 CO -0.04 0.98 -0.68 -0.07 -1.07 0.00 0.00 179.97 179.09 1u8f h LEU 17 N 0.52 0.00 -0.64 3.04 3.38 -1.06 -1.32 115.31 119.23 1u8f h LEU 17 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1u8f h LEU 17 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1u8f h LEU 17 CO 0.09 0.68 -0.35 0.58 0.09 0.00 0.00 178.44 179.53 1u8f h VAL 18 N 0.00 1.29 -0.54 1.22 2.07 -0.53 -1.20 116.25 118.56 1u8f h VAL 18 Ca -0.01 -1.50 -0.05 0.00 0.82 0.00 0.00 66.70 65.96 1u8f h VAL 18 Cb 1.29 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1u8f h VAL 18 CO 0.09 0.48 0.13 0.74 0.02 0.00 0.00 177.57 179.03 1u8f h THR 19 N 0.56 1.24 -0.40 2.57 2.02 -1.10 -0.39 112.91 117.42 1u8f h THR 19 Ca 0.06 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 1u8f h THR 19 Cb 0.86 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1u8f h THR 19 CO 0.07 0.32 0.21 0.03 0.37 0.00 0.00 175.52 176.52 1u8f h ARG 20 N 0.77 0.57 -0.72 6.66 3.08 -0.97 -2.28 114.38 121.48 1u8f h ARG 20 Ca 0.17 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1u8f h ARG 20 Cb 0.34 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1u8f h ARG 20 CO 0.00 0.48 0.32 0.00 -1.07 0.00 0.00 179.97 179.70 1u8f h ALA 21 N 1.06 1.21 -0.69 0.04 0.00 -1.01 -2.69 119.26 117.18 1u8f h ALA 21 Ca 0.14 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1u8f h ALA 21 Cb 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1u8f h ALA 21 CO -0.02 0.59 0.25 0.00 0.00 0.00 0.00 179.25 180.07 1u8f h ALA 22 N 1.32 1.14 0.00 0.00 0.00 -0.76 -2.80 119.26 118.17 1u8f h ALA 22 Ca 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1u8f h ALA 22 Cb 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1u8f h ALA 22 CO -0.03 0.61 0.00 1.19 0.00 0.00 0.00 179.25 181.02 1u8f n PHE 23 N -4.28 0.00 -1.97 0.00 3.72 -0.89 -3.56 117.46 110.48 1u8f n PHE 23 Ca 0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.45 1u8f n PHE 23 Cb 0.20 -0.19 0.12 0.00 -0.94 0.00 0.00 39.48 38.67 1u8f n PHE 23 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1u8f n ASN 24 N -1.19 2.18 0.00 4.37 6.94 -1.06 -4.72 115.26 121.79 1u8f n ASN 24 Ca 0.16 -3.33 0.00 0.00 -0.02 0.00 0.00 54.58 51.39 1u8f n ASN 24 Cb 0.18 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.16 1u8f n ASN 24 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1u8f n SER 25 N -0.66 0.00 0.00 0.53 3.41 -1.23 -5.01 113.62 110.66 1u8f n SER 25 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1u8f n SER 25 Cb 0.85 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1u8f n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u8f n GLY 26 N 0.00 0.51 0.25 5.00 0.00 -1.23 -4.81 105.19 104.90 1u8f n GLY 26 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1u8f n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u8f h LYS 27 N 1.17 0.78 -4.25 1.61 1.57 -1.92 -3.22 116.57 112.31 1u8f h LYS 27 Ca 0.00 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1u8f h LYS 27 Cb 0.00 -0.17 -0.14 0.00 0.08 0.00 0.00 32.23 31.99 1u8f h LYS 27 CO 0.00 0.51 -0.58 0.14 -0.57 0.00 0.00 179.45 178.96 1u8f s VAL 28 N -6.14 0.12 -0.12 0.50 -7.23 -1.26 0.22 120.40 106.49 1u8f s VAL 28 Ca -0.13 -1.75 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 1u8f s VAL 28 Cb 0.14 -1.86 0.02 0.00 0.56 0.00 0.00 36.38 35.23 1u8f s VAL 28 CO 0.76 -0.55 -0.14 -1.81 -0.31 0.00 0.00 175.10 173.04 1u8f s ASP 29 N -3.00 2.52 -0.14 4.85 -0.00 -0.60 -4.65 116.67 115.64 1u8f s ASP 29 Ca 0.18 -0.44 -0.29 0.00 -0.00 0.00 0.00 52.55 52.00 1u8f s ASP 29 Cb 0.07 -1.11 -0.01 0.00 -0.00 0.00 0.00 42.92 41.87 1u8f s ASP 29 CO -0.02 -0.02 1.06 -0.63 -0.00 0.00 0.00 175.17 175.56 1u8f s ILE 30 N 1.22 4.65 -0.07 0.77 -1.09 -1.26 -0.09 121.20 125.32 1u8f s ILE 30 Ca -0.02 1.95 0.01 0.00 -2.23 0.00 0.00 60.65 60.37 1u8f s ILE 30 Cb -0.14 -4.26 -0.02 0.00 -1.58 0.00 0.00 42.46 36.47 1u8f s ILE 30 CO -0.05 -0.07 0.08 1.33 -1.23 0.00 0.00 174.94 175.00 1u8f n VAL 31 N 4.87 0.00 -3.61 2.92 0.24 0.43 -4.82 118.33 118.36 1u8f n VAL 31 Ca 0.10 -0.47 -0.16 0.00 -2.04 0.00 0.00 64.34 61.78 1u8f n VAL 31 Cb 0.47 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.77 1u8f n VAL 31 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u8f s ALA 32 N -1.10 -1.49 -0.01 2.33 0.00 -1.19 -1.32 121.76 118.99 1u8f s ALA 32 Ca 0.01 1.21 -0.00 0.00 0.00 0.00 0.00 51.96 53.18 1u8f s ALA 32 Cb 0.01 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1u8f s ALA 32 CO 0.06 -0.32 0.01 0.42 0.00 0.00 0.00 175.76 175.93 1u8f s ILE 33 N -0.81 -0.01 -0.05 0.00 1.01 -0.30 -0.67 121.20 120.36 1u8f s ILE 33 Ca -0.09 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.65 1u8f s ILE 33 Cb -0.02 -0.03 -0.00 0.00 0.01 0.00 0.00 42.46 42.41 1u8f s ILE 33 CO 0.06 0.02 -0.20 0.21 0.00 0.00 0.00 174.94 175.03 1u8f s ASN 34 N 0.22 2.47 -0.30 3.58 2.47 -0.03 -0.38 114.94 122.96 1u8f s ASN 34 Ca -0.02 -0.41 -0.14 0.00 0.42 0.00 0.00 52.86 52.71 1u8f s ASN 34 Cb -0.03 -0.74 0.18 0.00 -1.45 0.00 0.00 41.25 39.21 1u8f s ASN 34 CO -0.01 0.17 1.07 -0.62 -3.72 0.00 0.00 177.10 174.00 1u8f s ASP 35 N 0.04 -0.42 0.50 -4.21 -1.08 -0.88 -0.98 116.67 109.64 1u8f s ASP 35 Ca -0.06 0.27 0.29 0.00 -0.52 0.00 0.00 52.55 52.54 1u8f s ASP 35 Cb -0.13 1.35 1.17 0.00 -1.46 0.00 0.00 42.92 43.86 1u8f s ASP 35 CO 0.03 -0.08 1.92 -0.65 0.52 0.00 0.00 175.17 176.91 1u8f h PRO 36 N 7.98 0.00 -0.37 4.34 0.11 -1.78 -3.15 132.00 139.12 1u8f h PRO 36 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1u8f h PRO 36 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1u8f h PRO 36 CO -0.10 0.10 0.00 1.19 -0.21 0.00 0.00 178.00 178.98 1u8f n PHE 37 N -3.25 0.48 -3.51 0.65 3.72 -1.26 -4.74 117.46 109.56 1u8f n PHE 37 Ca 0.00 -0.24 -0.23 0.00 -0.05 0.00 0.00 57.45 56.94 1u8f n PHE 37 Cb 0.36 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.76 1u8f n PHE 37 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1u8f s ILE 38 N -1.52 -0.22 0.94 4.37 1.01 -1.19 -5.11 121.20 119.47 1u8f s ILE 38 Ca 0.36 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.49 1u8f s ILE 38 Cb 0.20 -0.82 0.15 0.00 0.01 0.00 0.00 42.46 42.00 1u8f s ILE 38 CO 0.28 -0.44 1.11 1.51 0.00 0.00 0.00 174.94 177.41 1u8f s ASP 39 N 2.23 3.20 0.14 3.58 1.47 -1.26 -4.71 116.67 121.32 1u8f s ASP 39 Ca 0.07 1.09 -0.27 0.00 1.18 0.00 0.00 52.55 54.62 1u8f s ASP 39 Cb -0.15 -1.72 -0.02 0.00 -0.34 0.00 0.00 42.92 40.68 1u8f s ASP 39 CO -0.24 -2.76 1.59 0.25 0.68 0.00 0.00 175.17 174.70 1u8f h LEU 40 N -1.64 -1.20 -1.37 2.11 5.85 -1.96 0.33 115.31 117.43 1u8f h LEU 40 Ca -0.52 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.40 1u8f h LEU 40 Cb 1.33 0.51 -0.04 0.00 0.37 0.00 0.00 40.66 42.83 1u8f h LEU 40 CO 0.60 -0.39 0.44 0.78 -0.34 0.00 0.00 178.44 179.53 1u8f h ASN 41 N -0.42 0.71 0.04 1.25 2.35 -1.99 -1.11 115.58 116.42 1u8f h ASN 41 Ca 0.10 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.71 1u8f h ASN 41 Cb 0.59 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1u8f h ASN 41 CO -0.42 0.49 -0.42 0.22 -1.65 0.00 0.00 177.43 175.66 1u8f h TYR 42 N 0.83 0.57 -0.90 1.19 3.20 -1.74 -2.91 116.97 117.20 1u8f h TYR 42 Ca 0.26 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1u8f h TYR 42 Cb 0.03 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 1u8f h TYR 42 CO -0.00 0.82 0.51 0.52 -1.64 0.00 0.00 178.16 178.37 1u8f h MET 43 N 0.39 1.24 -0.21 1.82 2.86 0.33 -0.34 114.93 121.02 1u8f h MET 43 Ca 0.03 -0.13 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1u8f h MET 43 Cb 0.90 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 1u8f h MET 43 CO 0.08 0.89 -0.01 0.28 1.06 0.00 0.00 176.91 179.20 1u8f h VAL 44 N 1.25 0.83 -0.12 -2.22 2.07 -1.26 -0.31 116.25 116.50 1u8f h VAL 44 Ca 0.32 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.82 1u8f h VAL 44 Cb -0.01 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1u8f h VAL 44 CO -0.05 0.01 0.06 0.22 0.02 0.00 0.00 177.57 177.82 1u8f h TYR 45 N 0.05 0.17 0.00 1.57 5.03 -1.33 -0.84 116.97 121.61 1u8f h TYR 45 Ca 0.10 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.36 1u8f h TYR 45 Cb 0.13 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 1u8f h TYR 45 CO -0.19 0.21 -0.20 0.52 -1.32 0.00 0.00 178.16 177.18 1u8f h MET 46 N 0.07 0.00 0.19 1.82 2.86 -0.85 -2.54 114.93 116.49 1u8f h MET 46 Ca 0.04 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.35 1u8f h MET 46 Cb 0.11 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.79 1u8f h MET 46 CO -0.01 0.20 -1.53 0.35 1.06 0.00 0.00 176.91 176.98 1u8f h PHE 47 N 0.00 0.74 0.00 -0.22 3.04 -0.87 -3.36 116.94 116.26 1u8f h PHE 47 Ca -0.00 -0.54 -0.10 0.00 3.98 0.00 0.00 57.97 61.31 1u8f h PHE 47 Cb 0.38 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 1u8f h PHE 47 CO 0.00 1.52 -0.47 -0.56 -2.02 0.00 0.00 178.31 176.78 1u8f h GLN 48 N 0.11 0.00 -5.87 1.11 3.07 -1.01 -3.39 115.11 109.13 1u8f h GLN 48 Ca -0.26 0.00 -0.69 0.00 0.09 0.00 0.00 58.65 57.79 1u8f h GLN 48 Cb 2.10 0.00 -0.31 0.00 0.08 0.00 0.00 27.48 29.35 1u8f h GLN 48 CO 0.22 0.47 -0.87 0.71 0.09 0.00 0.00 178.83 179.45 1u8f s TYR 49 N -3.40 2.50 -0.12 0.06 2.02 -0.97 -1.18 117.35 116.27 1u8f s TYR 49 Ca 0.01 -0.74 -0.04 0.00 -0.37 0.00 0.00 57.07 55.93 1u8f s TYR 49 Cb 0.10 -1.64 0.06 0.00 -0.40 0.00 0.00 41.96 40.09 1u8f s TYR 49 CO 0.71 -0.23 0.23 0.34 -1.57 0.00 0.00 175.55 175.04 1u8f s ASP 50 N -0.07 0.58 0.41 2.29 -1.08 -1.23 -4.72 116.67 112.84 1u8f s ASP 50 Ca -0.06 0.43 0.08 0.00 -0.52 0.00 0.00 52.55 52.48 1u8f s ASP 50 Cb -0.14 0.54 0.88 0.00 -1.46 0.00 0.00 42.92 42.74 1u8f s ASP 50 CO 0.05 -0.25 2.04 0.28 0.52 0.00 0.00 175.17 177.81 1u8f h SER 51 N 8.31 0.47 0.07 -0.34 0.02 -1.97 -0.78 113.55 119.33 1u8f h SER 51 Ca -0.14 -0.01 -0.27 0.00 -0.84 0.00 0.00 61.79 60.53 1u8f h SER 51 Cb 1.12 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 1u8f h SER 51 CO 0.15 0.33 -1.44 0.74 -1.14 0.00 0.00 176.83 175.47 1u8f h THR 52 N 0.55 0.91 -0.44 -2.27 2.02 -1.97 -3.40 112.91 108.31 1u8f h THR 52 Ca 0.18 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 65.06 1u8f h THR 52 Cb 0.05 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1u8f h THR 52 CO -0.04 0.60 0.00 1.41 0.37 0.00 0.00 175.52 177.86 1u8f n HIS 53 N -4.04 0.65 -0.30 3.16 8.25 -1.23 -4.91 115.22 116.81 1u8f n HIS 53 Ca -0.29 -0.53 0.04 0.00 -0.26 0.00 0.00 57.72 56.68 1u8f n HIS 53 Cb 0.84 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.89 1u8f n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u8f n GLY 54 N 0.73 -1.77 3.74 -1.41 0.00 -0.30 -4.92 105.19 101.26 1u8f n GLY 54 Ca 0.16 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 1u8f n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u8f s LYS 55 N -1.79 2.57 0.01 1.61 1.02 -1.26 -3.57 119.74 118.33 1u8f s LYS 55 Ca 0.00 1.87 -0.30 0.00 0.02 0.00 0.00 55.97 57.56 1u8f s LYS 55 Cb 0.00 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 1u8f s LYS 55 CO 0.00 -1.53 1.10 0.12 -0.92 0.00 0.00 175.35 174.12 1u8f s PHE 56 N -1.67 3.49 -1.45 3.18 5.36 -0.32 -4.93 117.98 121.64 1u8f s PHE 56 Ca 0.78 1.46 0.27 0.00 -0.96 0.00 0.00 56.93 58.49 1u8f s PHE 56 Cb -0.32 -3.29 0.97 0.00 -0.34 0.00 0.00 43.02 40.04 1u8f s PHE 56 CO 0.39 -0.72 1.71 0.72 -1.46 0.00 0.00 175.22 175.86 1u8f n HIS 57 N 4.19 0.00 -1.17 10.12 8.25 -1.26 -4.86 115.22 130.48 1u8f n HIS 57 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1u8f n HIS 57 Cb 0.48 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1u8f n HIS 57 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u8f n GLY 58 N 1.37 1.32 3.68 -1.41 0.00 -1.26 -5.10 105.19 103.80 1u8f n GLY 58 Ca 0.11 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 1u8f n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u8f s THR 59 N 1.69 4.12 -0.16 2.61 -4.23 -1.26 -4.96 115.64 113.44 1u8f s THR 59 Ca 0.00 -0.70 -0.08 0.00 -1.18 0.00 0.00 61.69 59.73 1u8f s THR 59 Cb 0.00 -2.87 0.07 0.00 1.34 0.00 0.00 72.50 71.03 1u8f s THR 59 CO 0.00 0.31 0.38 0.54 -0.54 0.00 0.00 174.62 175.30 1u8f s VAL 60 N -1.15 -0.24 0.12 2.29 0.11 -1.25 -0.54 120.40 119.74 1u8f s VAL 60 Ca 0.21 0.14 -0.17 0.00 -2.93 0.00 0.00 61.98 59.24 1u8f s VAL 60 Cb -0.12 -0.58 0.04 0.00 -1.53 0.00 0.00 36.38 34.19 1u8f s VAL 60 CO 0.12 0.06 0.42 -1.59 -3.33 0.00 0.00 175.10 170.78 1u8f s LYS 61 N 1.84 1.07 -0.24 1.54 -2.85 -0.68 -5.00 119.74 115.42 1u8f s LYS 61 Ca -0.06 -0.65 -0.17 0.00 -1.00 0.00 0.00 55.97 54.08 1u8f s LYS 61 Cb -0.10 0.47 -0.03 0.00 -2.06 0.00 0.00 37.83 36.11 1u8f s LYS 61 CO -0.12 -0.42 0.48 0.00 0.10 0.00 0.00 175.35 175.39 1u8f s ALA 62 N -3.66 3.57 -0.07 0.59 0.00 -1.26 -0.75 121.76 120.17 1u8f s ALA 62 Ca 0.02 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 1u8f s ALA 62 Cb 0.01 -2.80 0.04 0.00 0.00 0.00 0.00 23.12 20.37 1u8f s ALA 62 CO -0.11 -0.58 0.13 -2.00 0.00 0.00 0.00 175.76 173.20 1u8f s GLU 63 N 1.94 -0.00 -1.45 0.00 2.12 -0.02 -4.88 118.70 116.41 1u8f s GLU 63 Ca 0.21 0.48 -0.10 0.00 0.36 0.00 0.00 54.97 55.91 1u8f s GLU 63 Cb -0.15 -0.42 0.04 0.00 0.26 0.00 0.00 34.13 33.86 1u8f s GLU 63 CO 0.09 -0.33 0.95 -1.71 -0.54 0.00 0.00 175.26 173.72 1u8f n ASN 64 N 5.32 -5.61 0.00 -1.70 5.15 -1.26 -1.57 115.26 115.59 1u8f n ASN 64 Ca -0.04 -0.56 0.00 0.00 -0.60 0.00 0.00 54.58 53.38 1u8f n ASN 64 Cb 0.50 -4.47 0.00 0.00 -0.53 0.00 0.00 39.78 35.28 1u8f n ASN 64 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u8f n GLY 65 N -1.74 0.78 3.40 8.20 0.00 -1.26 -5.03 105.19 109.55 1u8f n GLY 65 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1u8f n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u8f s LYS 66 N -0.01 1.49 -0.30 1.61 1.02 -0.61 -4.53 119.74 118.41 1u8f s LYS 66 Ca 0.00 -1.66 -0.18 0.00 0.02 0.00 0.00 55.97 54.15 1u8f s LYS 66 Cb 0.00 -1.46 -0.02 0.00 -0.52 0.00 0.00 37.83 35.83 1u8f s LYS 66 CO 0.00 0.27 0.52 -1.17 -0.92 0.00 0.00 175.35 174.04 1u8f s LEU 67 N -3.33 4.18 -0.33 3.17 2.96 -0.80 -0.84 118.68 123.69 1u8f s LEU 67 Ca 0.25 0.26 -0.08 0.00 -0.22 0.00 0.00 54.13 54.34 1u8f s LEU 67 Cb -0.03 -2.63 0.02 0.00 0.50 0.00 0.00 46.19 44.05 1u8f s LEU 67 CO 0.11 -0.38 0.13 -0.69 -1.32 0.00 0.00 176.35 174.19 1u8f s VAL 68 N 2.36 4.17 -0.19 1.68 1.01 0.07 -0.19 120.40 129.32 1u8f s VAL 68 Ca 0.20 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1u8f s VAL 68 Cb -0.15 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1u8f s VAL 68 CO 0.11 -0.07 -0.08 -0.63 0.00 0.00 0.00 175.10 174.44 1u8f s ILE 69 N 1.51 3.24 -1.58 2.22 1.01 -0.72 -1.69 121.20 125.19 1u8f s ILE 69 Ca 0.02 -0.55 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 1u8f s ILE 69 Cb -0.18 -2.44 0.11 0.00 0.01 0.00 0.00 42.46 39.96 1u8f s ILE 69 CO 0.04 0.46 0.93 0.59 0.00 0.00 0.00 174.94 176.97 1u8f n ASN 70 N 4.35 -4.40 0.00 3.58 3.02 0.30 -0.75 115.26 121.37 1u8f n ASN 70 Ca -0.18 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1u8f n ASN 70 Cb 0.51 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 36.11 1u8f n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u8f n GLY 71 N -1.61 0.97 3.50 7.41 0.00 -1.26 -5.00 105.19 109.18 1u8f n GLY 71 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1u8f n GLY 71 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u8f s ASN 72 N -2.94 5.95 0.14 1.61 0.01 0.07 -5.07 114.94 114.71 1u8f s ASN 72 Ca 0.00 -0.53 -0.31 0.00 -0.71 0.00 0.00 52.86 51.32 1u8f s ASN 72 Cb 0.00 -2.11 -0.08 0.00 0.41 0.00 0.00 41.25 39.47 1u8f s ASN 72 CO 0.00 -0.26 1.36 -2.84 -1.51 0.00 0.00 177.10 173.85 1u8f s PRO 73 N 1.69 4.34 -0.13 -0.60 0.02 -1.26 -1.75 135.00 137.31 1u8f s PRO 73 Ca 0.05 2.06 0.03 0.00 0.02 0.00 0.00 61.00 63.16 1u8f s PRO 73 Cb -0.18 -3.23 0.01 0.00 0.02 0.00 0.00 34.50 31.12 1u8f s PRO 73 CO 0.09 -0.38 -0.21 0.42 -0.33 0.00 0.00 177.00 176.59 1u8f s ILE 74 N 0.81 1.96 0.16 2.83 1.01 0.74 -4.86 121.20 123.84 1u8f s ILE 74 Ca 0.62 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 1u8f s ILE 74 Cb -0.37 -1.73 -0.08 0.00 0.01 0.00 0.00 42.46 40.29 1u8f s ILE 74 CO 0.33 0.53 1.27 -0.89 0.00 0.00 0.00 174.94 176.18 1u8f s THR 75 N 0.77 3.47 -0.16 2.92 2.01 -0.43 -1.90 115.64 122.32 1u8f s THR 75 Ca -0.09 1.16 -0.03 0.00 0.31 0.00 0.00 61.69 63.04 1u8f s THR 75 Cb -0.16 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 1u8f s THR 75 CO -0.00 0.15 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.39 1u8f s ILE 76 N 0.40 3.62 0.24 1.82 -1.09 -1.26 -1.15 121.20 123.78 1u8f s ILE 76 Ca 0.57 -0.45 0.09 0.00 -2.23 0.00 0.00 60.65 58.64 1u8f s ILE 76 Cb -0.34 -2.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 1u8f s ILE 76 CO 0.35 0.48 -0.04 -0.36 -1.23 0.00 0.00 174.94 174.15 1u8f s PHE 77 N 0.57 2.67 -0.29 3.97 0.08 0.49 -4.98 117.98 120.49 1u8f s PHE 77 Ca -0.04 -0.22 0.19 0.00 0.12 0.00 0.00 56.93 56.98 1u8f s PHE 77 Cb -0.15 -1.22 0.49 0.00 -0.57 0.00 0.00 43.02 41.57 1u8f s PHE 77 CO 0.03 0.59 1.08 1.04 -0.10 0.00 0.00 175.22 177.86 1u8f n GLN 78 N -0.60 1.92 -3.32 0.44 1.13 -1.26 -2.08 117.38 113.60 1u8f n GLN 78 Ca -0.08 -3.59 -0.38 0.00 -1.94 0.00 0.00 57.00 51.02 1u8f n GLN 78 Cb 0.58 -1.64 -0.06 0.00 0.11 0.00 0.00 30.24 29.23 1u8f n GLN 78 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1u8f s GLU 79 N -3.59 4.20 0.23 -1.09 0.41 -1.26 -4.46 118.70 113.13 1u8f s GLU 79 Ca 0.31 0.58 0.22 0.00 -0.41 0.00 0.00 54.97 55.67 1u8f s GLU 79 Cb 0.37 -3.32 0.05 0.00 -1.78 0.00 0.00 34.13 29.45 1u8f s GLU 79 CO -0.02 0.45 1.13 0.00 -0.49 0.00 0.00 175.26 176.33 1u8f h ARG 80 N 5.46 0.00 -4.58 1.61 3.08 -1.98 -3.40 114.38 114.58 1u8f h ARG 80 Ca -0.47 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 58.88 1u8f h ARG 80 Cb 1.20 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.99 1u8f h ARG 80 CO 0.68 0.05 -0.53 0.34 -1.07 0.00 0.00 179.97 179.44 1u8f s ASP 81 N -5.59 5.61 0.37 7.04 2.15 -1.26 -4.99 116.67 119.99 1u8f s ASP 81 Ca 0.01 -1.15 0.17 0.00 0.43 0.00 0.00 52.55 52.00 1u8f s ASP 81 Cb 0.09 -1.98 1.11 0.00 -0.30 0.00 0.00 42.92 41.84 1u8f s ASP 81 CO 0.77 -0.41 1.70 -0.65 -0.17 0.00 0.00 175.17 176.41 1u8f h PRO 82 N 8.38 0.34 0.00 4.34 0.11 -1.92 0.48 132.00 143.73 1u8f h PRO 82 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1u8f h PRO 82 Cb 1.09 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1u8f h PRO 82 CO 0.67 0.23 0.00 0.66 -0.21 0.00 0.00 178.00 179.35 1u8f h SER 83 N 0.36 0.00 0.66 -2.05 4.64 -1.94 -2.67 113.55 112.53 1u8f h SER 83 Ca 0.69 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 1u8f h SER 83 Cb 1.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1u8f h SER 83 CO -0.47 0.00 -0.62 0.29 -0.87 0.00 0.00 176.83 175.17 1u8f n LYS 84 N -2.55 0.16 -2.30 4.77 4.76 0.16 -4.26 118.16 118.91 1u8f n LYS 84 Ca 0.00 0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.06 1u8f n LYS 84 Cb 0.18 -1.59 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 1u8f n LYS 84 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1u8f s ILE 85 N -3.10 3.93 -1.42 -0.18 1.01 -1.01 -4.93 121.20 115.51 1u8f s ILE 85 Ca 0.08 1.26 -0.10 0.00 0.00 0.00 0.00 60.65 61.89 1u8f s ILE 85 Cb 0.15 -3.81 0.06 0.00 0.01 0.00 0.00 42.46 38.88 1u8f s ILE 85 CO 0.72 -0.03 2.35 0.29 0.00 0.00 0.00 174.94 178.26 1u8f n LYS 86 N 5.72 3.68 -0.15 2.79 5.02 -1.26 -4.30 118.16 129.66 1u8f n LYS 86 Ca 0.13 -2.96 -0.06 0.00 -2.02 0.00 0.00 58.31 53.40 1u8f n LYS 86 Cb 0.44 -2.92 0.03 0.00 -0.02 0.00 0.00 35.03 32.56 1u8f n LYS 86 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1u8f h TRP 87 N 5.36 0.49 -0.57 2.13 4.06 -1.80 -2.79 115.95 122.84 1u8f h TRP 87 Ca 0.63 0.02 0.10 0.00 2.06 0.00 0.00 58.89 61.69 1u8f h TRP 87 Cb 0.47 -0.16 -0.08 0.00 -1.00 0.00 0.00 29.16 28.40 1u8f h TRP 87 CO 1.54 0.28 0.13 0.78 -3.56 0.00 0.00 178.44 177.61 1u8f h GLY 88 N 0.53 0.73 2.00 1.49 0.00 -1.25 -0.61 103.07 105.96 1u8f h GLY 88 Ca 0.19 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 1u8f h GLY 88 CO -0.10 -0.08 -0.45 -0.55 0.00 0.00 0.00 176.54 175.37 1u8f h ASP 89 N 0.28 0.00 1.03 0.19 3.32 -1.78 -2.45 116.42 117.00 1u8f h ASP 89 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1u8f h ASP 89 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1u8f h ASP 89 CO -0.36 0.45 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 1u8f n ALA 90 N -2.36 2.23 -0.65 3.45 0.00 -0.49 -4.91 120.51 117.78 1u8f n ALA 90 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1u8f n ALA 90 Cb 0.52 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1u8f n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8f n GLY 91 N 1.27 0.66 3.60 0.00 0.00 -0.36 -4.83 105.19 105.54 1u8f n GLY 91 Ca 0.06 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1u8f n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8f s ALA 92 N -2.00 3.13 -0.11 4.61 0.00 -0.62 -4.64 121.76 122.14 1u8f s ALA 92 Ca 0.00 -0.46 -0.27 0.00 0.00 0.00 0.00 51.96 51.24 1u8f s ALA 92 Cb 0.00 -3.91 -0.27 0.00 0.00 0.00 0.00 23.12 18.94 1u8f s ALA 92 CO 0.00 -2.29 0.82 1.49 0.00 0.00 0.00 175.76 175.78 1u8f h GLU 93 N 9.40 0.09 -6.36 0.00 4.81 -1.29 -3.40 114.58 117.84 1u8f h GLU 93 Ca -0.24 -0.15 -0.64 0.00 -0.13 0.00 0.00 59.36 58.20 1u8f h GLU 93 Cb 1.06 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 30.38 1u8f h GLU 93 CO 1.13 1.06 -0.66 0.71 -0.73 0.00 0.00 179.01 180.51 1u8f s TYR 94 N -2.35 2.96 -0.08 0.92 2.02 -1.05 -0.25 117.35 119.53 1u8f s TYR 94 Ca -0.17 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.50 1u8f s TYR 94 Cb -0.02 -1.51 0.01 0.00 -0.40 0.00 0.00 41.96 40.05 1u8f s TYR 94 CO 0.73 0.48 -0.13 0.08 -1.57 0.00 0.00 175.55 175.14 1u8f s VAL 95 N -1.38 1.25 -0.34 0.71 1.01 -0.39 -0.67 120.40 120.58 1u8f s VAL 95 Ca 0.26 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.51 1u8f s VAL 95 Cb -0.11 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 1u8f s VAL 95 CO 0.18 0.38 0.61 -0.69 0.00 0.00 0.00 175.10 175.59 1u8f s VAL 96 N 0.74 4.92 -0.72 2.92 1.01 0.47 -0.88 120.40 128.86 1u8f s VAL 96 Ca -0.13 0.63 -0.19 0.00 0.00 0.00 0.00 61.98 62.29 1u8f s VAL 96 Cb -0.16 -4.03 0.11 0.00 0.00 0.00 0.00 36.38 32.30 1u8f s VAL 96 CO 0.03 -0.25 0.89 -0.70 0.00 0.00 0.00 175.10 175.07 1u8f s GLU 97 N 2.63 3.26 -0.22 2.72 2.56 0.05 -0.48 118.70 129.21 1u8f s GLU 97 Ca 0.24 -1.43 0.10 0.00 0.00 0.00 0.00 54.97 53.88 1u8f s GLU 97 Cb -0.15 -4.45 0.43 0.00 2.00 0.00 0.00 34.13 31.96 1u8f s GLU 97 CO 0.14 -1.65 1.21 -1.13 -0.56 0.00 0.00 175.26 173.27 1u8f n SER 98 N 6.51 2.25 0.04 -1.70 3.41 -0.32 -1.29 113.62 122.52 1u8f n SER 98 Ca 0.03 -3.86 -0.03 0.00 -0.26 0.00 0.00 58.87 54.75 1u8f n SER 98 Cb 0.45 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 63.82 1u8f n SER 98 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1u8f h THR 99 N 1.27 0.82 0.00 6.66 1.35 -1.84 -3.44 112.91 117.74 1u8f h THR 99 Ca 0.06 -2.44 0.00 0.00 -0.55 0.00 0.00 66.41 63.48 1u8f h THR 99 Cb 1.10 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 1u8f h THR 99 CO 0.13 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1u8f n GLY 100 N 1.41 0.70 0.00 5.82 0.00 -1.26 -4.90 105.19 106.96 1u8f n GLY 100 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1u8f n GLY 100 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u8f n VAL 101 N -2.51 0.31 -2.81 1.61 0.24 -1.26 -4.76 118.33 109.16 1u8f n VAL 101 Ca 0.00 -0.56 -0.18 0.00 -2.04 0.00 0.00 64.34 61.56 1u8f n VAL 101 Cb 0.00 0.96 -0.00 0.00 -1.47 0.00 0.00 33.84 33.33 1u8f n VAL 101 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1u8f n PHE 102 N -0.16 1.85 0.94 6.34 3.72 -1.26 -4.92 117.46 123.96 1u8f n PHE 102 Ca 0.00 -3.32 0.13 0.00 -0.05 0.00 0.00 57.45 54.21 1u8f n PHE 102 Cb 0.15 -0.34 0.45 0.00 -0.94 0.00 0.00 39.48 38.79 1u8f n PHE 102 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1u8f n THR 103 N -0.09 0.08 -2.88 4.37 -2.24 -1.26 -3.44 114.28 108.81 1u8f n THR 103 Ca 0.23 -0.04 -0.26 0.00 -2.27 0.00 0.00 64.05 61.71 1u8f n THR 103 Cb 0.68 -0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1u8f n THR 103 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1u8f s THR 104 N -3.02 4.97 0.25 4.28 -4.23 -1.26 -4.35 115.64 112.28 1u8f s THR 104 Ca 0.12 -0.01 -0.04 0.00 -1.18 0.00 0.00 61.69 60.58 1u8f s THR 104 Cb 0.18 -3.86 0.22 0.00 1.34 0.00 0.00 72.50 70.37 1u8f s THR 104 CO 0.61 -0.75 1.82 0.24 -0.54 0.00 0.00 174.62 175.99 1u8f h MET 105 N 0.42 0.81 0.04 3.99 2.86 -1.91 0.10 114.93 121.24 1u8f h MET 105 Ca -0.48 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1u8f h MET 105 Cb 1.21 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1u8f h MET 105 CO 0.62 0.54 -0.02 1.49 1.06 0.00 0.00 176.91 180.59 1u8f h GLU 106 N 0.83 -0.05 -0.16 1.72 4.57 -1.96 -1.59 114.58 117.94 1u8f h GLU 106 Ca 0.40 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.48 1u8f h GLU 106 Cb 0.35 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1u8f h GLU 106 CO -0.24 0.12 -0.30 0.87 -1.18 0.00 0.00 179.01 178.28 1u8f h LYS 107 N -0.22 0.49 0.00 1.92 1.57 -1.81 -3.18 116.57 115.33 1u8f h LYS 107 Ca -0.01 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 1u8f h LYS 107 Cb 0.20 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1u8f h LYS 107 CO 0.01 0.92 -0.21 0.00 -0.57 0.00 0.00 179.45 179.60 1u8f h ALA 108 N 0.57 1.66 0.00 3.86 0.00 -0.83 -2.45 119.26 122.06 1u8f h ALA 108 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1u8f h ALA 108 Cb 0.90 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1u8f h ALA 108 CO 0.07 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.99 1u8f n GLY 109 N -0.94 -1.03 0.30 0.00 0.00 -0.60 -2.68 105.19 100.25 1u8f n GLY 109 Ca -0.02 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1u8f n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8f h ALA 110 N 2.18 1.99 0.00 4.61 0.00 -1.55 -0.08 119.26 126.41 1u8f h ALA 110 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1u8f h ALA 110 Cb 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1u8f h ALA 110 CO 0.00 -0.18 -0.21 0.45 0.00 0.00 0.00 179.25 179.31 1u8f h HIS 111 N 0.00 0.00 0.00 0.00 3.86 -1.71 -2.12 115.15 115.18 1u8f h HIS 111 Ca 0.06 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.19 1u8f h HIS 111 Cb 0.28 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1u8f h HIS 111 CO 0.00 0.21 -0.42 -0.07 0.86 0.00 0.00 177.93 178.51 1u8f h LEU 112 N 0.00 0.00 -1.68 2.43 3.38 -1.21 -2.49 115.31 115.73 1u8f h LEU 112 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1u8f h LEU 112 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1u8f h LEU 112 CO 0.03 0.42 -0.16 1.56 0.09 0.00 0.00 178.44 180.37 1u8f h GLN 113 N 0.00 0.00 -0.25 1.13 4.20 -1.43 -2.45 115.11 116.30 1u8f h GLN 113 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u8f h GLN 113 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1u8f h GLN 113 CO 0.05 0.16 0.00 0.41 -0.67 0.00 0.00 178.83 178.79 1u8f n GLY 114 N -0.47 0.63 0.00 3.46 0.00 -0.96 -4.91 105.19 102.93 1u8f n GLY 114 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1u8f n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u8f n GLY 115 N 1.19 1.21 3.75 -0.02 0.00 -0.92 -1.03 105.19 109.37 1u8f n GLY 115 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1u8f n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8f s ALA 116 N -2.09 2.74 -0.17 4.61 0.00 -1.08 -4.23 121.76 121.54 1u8f s ALA 116 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1u8f s ALA 116 Cb 0.00 -3.49 -0.22 0.00 0.00 0.00 0.00 23.12 19.40 1u8f s ALA 116 CO 0.00 -1.17 0.15 1.63 0.00 0.00 0.00 175.76 176.37 1u8f n LYS 117 N -1.13 0.70 -3.96 0.00 4.76 0.66 -4.43 118.16 114.76 1u8f n LYS 117 Ca 0.11 0.20 -0.09 0.00 -2.87 0.00 0.00 58.31 55.66 1u8f n LYS 117 Cb 0.47 -1.63 -0.10 0.00 -1.84 0.00 0.00 35.03 31.93 1u8f n LYS 117 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1u8f s ARG 118 N -2.54 0.46 -0.06 1.97 0.52 -0.99 -4.81 118.95 113.49 1u8f s ARG 118 Ca -0.24 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.30 1u8f s ARG 118 Cb 0.08 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.72 1u8f s ARG 118 CO 0.72 -0.10 -0.16 0.08 0.02 0.00 0.00 175.30 175.86 1u8f s VAL 119 N -2.11 1.40 -0.31 3.52 1.01 0.15 -1.26 120.40 122.80 1u8f s VAL 119 Ca -0.10 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1u8f s VAL 119 Cb -0.05 -1.23 0.05 0.00 0.00 0.00 0.00 36.38 35.15 1u8f s VAL 119 CO -0.03 0.41 0.02 -0.63 0.00 0.00 0.00 175.10 174.87 1u8f s ILE 120 N 0.34 3.07 -0.20 2.22 1.09 -0.06 -1.11 121.20 126.55 1u8f s ILE 120 Ca -0.11 -1.41 -0.29 0.00 -1.10 0.00 0.00 60.65 57.74 1u8f s ILE 120 Cb -0.14 -2.78 0.00 0.00 -1.06 0.00 0.00 42.46 38.48 1u8f s ILE 120 CO 0.04 -0.15 1.05 -0.63 -0.10 0.00 0.00 174.94 175.15 1u8f s ILE 121 N 1.26 4.66 -0.16 2.92 1.01 0.73 -0.77 121.20 130.85 1u8f s ILE 121 Ca -0.04 1.99 -0.02 0.00 0.00 0.00 0.00 60.65 62.58 1u8f s ILE 121 Cb -0.20 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 38.00 1u8f s ILE 121 CO -0.01 -0.14 2.50 -1.54 0.00 0.00 0.00 174.94 175.74 1u8f n SER 122 N 6.11 5.80 -3.63 3.58 3.41 -0.41 -1.46 113.62 127.02 1u8f n SER 122 Ca 0.12 -2.73 -0.05 0.00 -0.26 0.00 0.00 58.87 55.95 1u8f n SER 122 Cb 0.46 -1.19 -0.02 0.00 -0.26 0.00 0.00 64.21 63.21 1u8f n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u8f s ALA 123 N -0.53 -1.79 0.62 7.33 0.00 -1.21 -4.93 121.76 121.25 1u8f s ALA 123 Ca 0.33 0.60 -0.19 0.00 0.00 0.00 0.00 51.96 52.70 1u8f s ALA 123 Cb 0.20 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 1u8f s ALA 123 CO -0.04 -0.88 1.26 -2.14 0.00 0.00 0.00 175.76 173.97 1u8f s PRO 124 N -3.12 2.78 0.01 0.00 0.02 -1.20 -4.08 135.00 129.40 1u8f s PRO 124 Ca 0.09 1.96 0.06 0.00 0.02 0.00 0.00 61.00 63.13 1u8f s PRO 124 Cb -0.01 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.59 1u8f s PRO 124 CO -0.03 -1.40 -0.18 0.45 -0.33 0.00 0.00 177.00 175.51 1u8f s SER 125 N -1.47 2.13 0.39 2.53 0.15 -1.26 -4.90 113.70 111.26 1u8f s SER 125 Ca 0.80 -0.38 0.14 0.00 0.70 0.00 0.00 55.95 57.20 1u8f s SER 125 Cb -0.34 -0.21 0.80 0.00 -1.71 0.00 0.00 66.02 64.56 1u8f s SER 125 CO 0.37 0.18 1.87 0.00 1.20 0.00 0.00 173.24 176.86 1u8f h ALA 126 N 5.41 1.44 0.00 5.45 0.00 -1.96 -3.37 119.26 126.23 1u8f h ALA 126 Ca -0.38 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1u8f h ALA 126 Cb 1.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1u8f h ALA 126 CO 0.47 0.41 -0.08 -0.40 0.00 0.00 0.00 179.25 179.64 1u8f n ASP 127 N -4.12 0.40 -4.75 0.00 5.75 -1.26 -5.07 116.55 107.50 1u8f n ASP 127 Ca -0.02 -0.12 -0.40 0.00 -0.01 0.00 0.00 54.79 54.24 1u8f n ASP 127 Cb 0.37 0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 40.72 1u8f n ASP 127 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u8f s ALA 128 N -0.39 3.34 0.15 2.12 0.00 -1.26 -4.91 121.76 120.81 1u8f s ALA 128 Ca 0.00 0.68 -0.33 0.00 0.00 0.00 0.00 51.96 52.30 1u8f s ALA 128 Cb 0.00 -3.25 -0.13 0.00 0.00 0.00 0.00 23.12 19.74 1u8f s ALA 128 CO 0.00 0.08 1.65 -2.30 0.00 0.00 0.00 175.76 175.18 1u8f n PRO 129 N 1.70 2.31 -3.91 0.00 -0.02 -1.26 -4.57 135.00 129.26 1u8f n PRO 129 Ca -0.01 0.84 -0.36 0.00 -2.02 0.00 0.00 63.50 61.95 1u8f n PRO 129 Cb 0.47 -2.63 -0.06 0.00 -0.02 0.00 0.00 33.50 31.26 1u8f n PRO 129 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1u8f s MET 130 N 1.32 3.42 0.04 -0.52 -1.94 -1.26 -0.69 119.30 119.67 1u8f s MET 130 Ca 0.79 -0.21 0.04 0.00 -1.71 0.00 0.00 55.69 54.60 1u8f s MET 130 Cb -0.63 -3.14 -0.02 0.00 2.01 0.00 0.00 34.83 33.04 1u8f s MET 130 CO 0.38 0.74 -0.12 -0.06 -0.01 0.00 0.00 175.02 175.95 1u8f s PHE 131 N -1.13 1.05 -0.13 -0.03 0.08 0.29 -4.79 117.98 113.32 1u8f s PHE 131 Ca 0.19 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.86 1u8f s PHE 131 Cb -0.12 -0.62 0.03 0.00 -0.57 0.00 0.00 43.02 41.74 1u8f s PHE 131 CO 0.09 0.01 -0.07 0.08 -0.10 0.00 0.00 175.22 175.24 1u8f s VAL 132 N -0.97 1.03 0.20 -0.44 1.01 -1.26 -3.96 120.40 116.01 1u8f s VAL 132 Ca -0.01 -0.38 -0.33 0.00 0.00 0.00 0.00 61.98 61.26 1u8f s VAL 132 Cb -0.08 -1.10 -0.14 0.00 0.00 0.00 0.00 36.38 35.06 1u8f s VAL 132 CO 0.01 0.29 1.51 0.23 0.00 0.00 0.00 175.10 177.15 1u8f n MET 133 N 4.93 2.14 0.00 2.72 2.81 -1.26 -1.28 117.12 127.18 1u8f n MET 133 Ca -0.12 0.77 0.00 0.00 -1.81 0.00 0.00 57.70 56.54 1u8f n MET 133 Cb 0.49 -2.50 0.00 0.00 -0.71 0.00 0.00 33.22 30.51 1u8f n MET 133 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u8f n GLY 134 N 2.87 1.81 0.75 3.03 0.00 -1.26 -4.84 105.19 107.56 1u8f n GLY 134 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 1u8f n GLY 134 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u8f n VAL 135 N -2.00 0.60 -1.92 1.61 0.31 -0.40 -4.93 118.33 111.60 1u8f n VAL 135 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1u8f n VAL 135 Cb 0.00 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 1u8f n VAL 135 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1u8f n ASN 136 N -3.44 0.00 0.29 4.52 6.94 -0.93 -4.88 115.26 117.76 1u8f n ASN 136 Ca -0.14 -1.72 0.17 0.00 -0.02 0.00 0.00 54.58 52.87 1u8f n ASN 136 Cb 0.54 -0.14 0.81 0.00 -2.36 0.00 0.00 39.78 38.62 1u8f n ASN 136 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 1u8f h HIS 137 N 0.00 0.00 0.00 -2.53 2.07 -1.91 -1.57 115.15 111.21 1u8f h HIS 137 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1u8f h HIS 137 Cb 1.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.27 1u8f h HIS 137 CO 0.02 0.04 0.00 0.39 -3.07 0.00 0.00 177.93 175.30 1u8f n GLU 138 N -3.19 0.07 0.01 5.12 -0.58 -1.26 -1.88 120.64 118.92 1u8f n GLU 138 Ca -0.01 0.31 0.13 0.00 -0.42 0.00 0.00 57.16 57.18 1u8f n GLU 138 Cb 0.25 -1.63 0.47 0.00 -0.57 0.00 0.00 31.44 29.96 1u8f n GLU 138 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1u8f n LYS 139 N -1.76 0.02 -2.21 3.49 5.02 -0.59 -4.85 118.16 117.28 1u8f n LYS 139 Ca 0.03 0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 55.97 1u8f n LYS 139 Cb 0.19 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1u8f n LYS 139 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1u8f s TYR 140 N -3.01 2.67 0.05 2.13 5.04 -0.79 -5.05 117.35 118.40 1u8f s TYR 140 Ca 0.13 1.53 -0.09 0.00 -2.44 0.00 0.00 57.07 56.19 1u8f s TYR 140 Cb 0.18 -3.36 0.00 0.00 0.35 0.00 0.00 41.96 39.14 1u8f s TYR 140 CO 0.60 -1.68 0.20 0.16 -1.34 0.00 0.00 175.55 173.48 1u8f s ASP 141 N -1.61 0.05 0.00 4.32 1.47 -1.26 -5.05 116.67 114.59 1u8f s ASP 141 Ca 0.71 -0.43 0.01 0.00 1.18 0.00 0.00 52.55 54.02 1u8f s ASP 141 Cb -0.27 0.30 0.07 0.00 -0.34 0.00 0.00 42.92 42.69 1u8f s ASP 141 CO 0.30 -0.60 0.33 -0.46 0.68 0.00 0.00 175.17 175.42 1u8f n ASN 142 N 0.50 0.00 0.01 2.11 0.23 -1.26 -1.88 115.26 114.97 1u8f n ASN 142 Ca -0.18 -0.38 0.11 0.00 -0.53 0.00 0.00 54.58 53.60 1u8f n ASN 142 Cb 0.60 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.37 1u8f n ASN 142 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1u8f n SER 143 N -0.59 0.69 -4.60 0.53 3.41 -1.26 -4.83 113.62 106.96 1u8f n SER 143 Ca 0.01 -0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 57.72 1u8f n SER 143 Cb 0.00 0.64 -0.05 0.00 -0.26 0.00 0.00 64.21 64.55 1u8f n SER 143 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1u8f s LEU 144 N -3.25 4.08 0.06 1.04 1.43 -0.79 -4.91 118.68 116.34 1u8f s LEU 144 Ca 0.08 0.52 0.22 0.00 -1.03 0.00 0.00 54.13 53.91 1u8f s LEU 144 Cb 0.16 -3.11 -0.20 0.00 0.03 0.00 0.00 46.19 43.07 1u8f s LEU 144 CO 0.78 -0.73 0.70 0.29 0.23 0.00 0.00 176.35 177.62 1u8f n LYS 145 N 6.46 0.64 -3.76 1.70 5.02 -1.26 -4.85 118.16 122.10 1u8f n LYS 145 Ca 0.04 -0.05 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1u8f n LYS 145 Cb 0.48 -1.65 -0.17 0.00 -0.02 0.00 0.00 35.03 33.67 1u8f n LYS 145 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1u8f s ILE 146 N -3.39 0.44 0.25 -0.18 1.01 -1.26 0.32 121.20 118.40 1u8f s ILE 146 Ca -0.05 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.51 1u8f s ILE 146 Cb 0.12 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.83 1u8f s ILE 146 CO 0.86 0.12 0.08 0.27 0.00 0.00 0.00 174.94 176.26 1u8f s ILE 147 N 1.93 0.63 0.03 2.92 -4.36 -0.26 -4.29 121.20 117.80 1u8f s ILE 147 Ca 0.03 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.50 1u8f s ILE 147 Cb -0.14 -2.58 -0.02 0.00 1.25 0.00 0.00 42.46 40.96 1u8f s ILE 147 CO -0.06 -0.06 -0.24 -0.55 0.24 0.00 0.00 174.94 174.27 1u8f s SER 148 N -3.31 2.81 -0.26 4.36 0.15 0.14 -0.19 113.70 117.40 1u8f s SER 148 Ca 0.36 -0.52 0.13 0.00 0.70 0.00 0.00 55.95 56.62 1u8f s SER 148 Cb 0.08 -0.26 0.80 0.00 -1.71 0.00 0.00 66.02 64.92 1u8f s SER 148 CO 0.13 0.23 1.76 -3.20 1.20 0.00 0.00 173.24 173.35 1u8f n ASN 149 N 1.99 5.50 0.00 5.45 5.15 -0.54 -0.55 115.26 132.26 1u8f n ASN 149 Ca -0.17 -3.01 0.00 0.00 -0.60 0.00 0.00 54.58 50.81 1u8f n ASN 149 Cb 0.52 -0.70 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 1u8f n ASN 149 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1u8f n ALA 150 N 0.41 0.00 -2.40 5.20 0.00 -1.25 -4.80 120.51 117.66 1u8f n ALA 150 Ca 0.31 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.51 1u8f n ALA 150 Cb 1.24 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.62 1u8f n ALA 150 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u8f s SER 151 N -4.00 4.54 0.13 0.00 1.04 -1.26 -3.23 113.70 110.92 1u8f s SER 151 Ca 0.00 -1.01 -0.17 0.00 0.48 0.00 0.00 55.95 55.26 1u8f s SER 151 Cb 0.00 -0.51 -0.02 0.00 0.10 0.00 0.00 66.02 65.60 1u8f s SER 151 CO 0.00 -0.55 1.70 0.00 0.98 0.00 0.00 173.24 175.37 1u8f h THR 153 N 0.45 1.20 -0.29 0.00 2.02 -1.96 -1.37 112.91 112.96 1u8f h THR 153 Ca 0.12 -0.47 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 1u8f h THR 153 Cb 0.12 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1u8f h THR 153 CO -0.02 0.22 -0.18 0.74 0.37 0.00 0.00 175.52 176.65 1u8f h THR 154 N 0.94 1.25 0.00 3.16 2.02 -1.76 -0.30 112.91 118.22 1u8f h THR 154 Ca 0.25 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 1u8f h THR 154 Cb -0.01 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1u8f h THR 154 CO -0.04 0.38 -0.06 0.78 0.37 0.00 0.00 175.52 176.94 1u8f h ASN 155 N 0.48 0.00 0.05 4.18 2.35 -0.56 0.56 115.58 122.64 1u8f h ASN 155 Ca 0.08 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.63 1u8f h ASN 155 Cb 0.59 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1u8f h ASN 155 CO 0.04 0.06 -1.07 0.00 -1.65 0.00 0.00 177.43 174.82 1u8f h LEU 157 N -0.72 0.83 -0.25 0.00 5.85 -0.99 -3.34 115.31 116.71 1u8f h LEU 157 Ca -0.26 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.02 1u8f h LEU 157 Cb 1.43 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 1u8f h LEU 157 CO -0.06 1.16 -0.15 0.00 -0.34 0.00 0.00 178.44 179.05 1u8f h ALA 158 N 0.70 0.04 -0.71 1.25 0.00 -1.09 0.14 119.26 119.58 1u8f h ALA 158 Ca 0.04 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1u8f h ALA 158 Cb 0.96 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1u8f h ALA 158 CO 0.09 -0.56 0.45 -1.35 0.00 0.00 0.00 179.25 177.88 1u8f h PRO 159 N -0.13 0.86 -0.05 0.00 0.11 -1.75 0.37 132.00 131.41 1u8f h PRO 159 Ca 0.14 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1u8f h PRO 159 Cb 0.33 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 1u8f h PRO 159 CO -0.33 0.57 0.00 1.25 -0.21 0.00 0.00 178.00 179.29 1u8f h LEU 160 N 0.89 0.08 -1.23 2.35 5.85 -1.58 -2.71 115.31 118.95 1u8f h LEU 160 Ca 0.28 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1u8f h LEU 160 Cb 0.00 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1u8f h LEU 160 CO -0.10 0.36 0.54 0.00 -0.34 0.00 0.00 178.44 178.90 1u8f h ALA 161 N 0.72 1.56 -0.06 1.25 0.00 -0.49 -1.16 119.26 121.07 1u8f h ALA 161 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u8f h ALA 161 Cb 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1u8f h ALA 161 CO 0.00 0.33 0.04 -0.22 0.00 0.00 0.00 179.25 179.40 1u8f h LYS 162 N 0.95 0.09 -0.38 0.00 3.64 -0.80 0.14 116.57 120.21 1u8f h LYS 162 Ca 0.35 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 1u8f h LYS 162 Cb 0.17 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1u8f h LYS 162 CO -0.12 0.08 0.17 0.28 -2.27 0.00 0.00 179.45 177.59 1u8f h VAL 163 N 0.07 1.18 -0.40 2.00 2.07 -1.10 0.62 116.25 120.68 1u8f h VAL 163 Ca 0.02 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 1u8f h VAL 163 Cb 0.02 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1u8f h VAL 163 CO -0.00 0.19 0.08 0.40 0.02 0.00 0.00 177.57 178.26 1u8f h ILE 164 N 0.47 1.24 -0.22 4.57 1.08 -1.10 -2.37 117.51 121.18 1u8f h ILE 164 Ca 0.13 -0.83 -0.04 0.00 -0.39 0.00 0.00 64.86 63.73 1u8f h ILE 164 Cb 0.15 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 1u8f h ILE 164 CO -0.01 0.29 -0.02 -0.74 -0.69 0.00 0.00 178.15 176.97 1u8f h HIS 165 N 0.52 0.44 -0.42 1.37 2.76 -0.62 0.11 115.15 119.31 1u8f h HIS 165 Ca 0.12 -0.08 0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1u8f h HIS 165 Cb 0.34 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 1u8f h HIS 165 CO 0.02 0.61 0.28 -0.44 -1.30 0.00 0.00 177.93 177.10 1u8f h ASP 166 N 0.15 0.38 0.11 3.26 3.32 -0.85 -0.26 116.42 122.53 1u8f h ASP 166 Ca 0.06 -0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.74 1u8f h ASP 166 Cb 0.45 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 1u8f h ASP 166 CO 0.02 0.26 -2.13 0.59 -1.72 0.00 0.00 179.24 176.26 1u8f n ASN 167 N -4.48 1.91 0.00 6.45 3.02 -0.90 -4.74 115.26 116.51 1u8f n ASN 167 Ca 0.04 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1u8f n ASN 167 Cb 0.16 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 1u8f n ASN 167 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1u8f n PHE 168 N -3.36 0.00 -0.63 3.10 3.72 0.35 -4.96 117.46 115.68 1u8f n PHE 168 Ca -0.35 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 1u8f n PHE 168 Cb 1.04 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 1u8f n PHE 168 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u8f n GLY 169 N 1.43 -3.81 3.55 1.37 0.00 -0.11 -0.87 105.19 106.75 1u8f n GLY 169 Ca 0.00 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1u8f n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u8f s ILE 170 N -0.09 5.09 0.00 -0.61 1.01 -1.26 -0.26 121.20 125.09 1u8f s ILE 170 Ca 0.00 0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.60 1u8f s ILE 170 Cb 0.00 -3.90 -0.18 0.00 0.01 0.00 0.00 42.46 38.39 1u8f s ILE 170 CO 0.00 -0.17 1.25 0.58 0.00 0.00 0.00 174.94 176.61 1u8f h VAL 171 N 5.58 1.40 -2.03 2.92 2.07 -1.06 -3.47 116.25 121.66 1u8f h VAL 171 Ca -0.29 -1.41 0.10 0.00 0.82 0.00 0.00 66.70 65.92 1u8f h VAL 171 Cb 1.13 2.15 -0.18 0.00 -1.52 0.00 0.00 31.29 32.87 1u8f h VAL 171 CO 0.74 0.40 0.51 -1.83 0.02 0.00 0.00 177.57 177.41 1u8f s GLU 172 N -4.03 0.74 0.02 1.57 -1.05 -1.24 -4.89 118.70 109.82 1u8f s GLU 172 Ca -0.15 -0.15 -0.23 0.00 -0.15 0.00 0.00 54.97 54.30 1u8f s GLU 172 Cb 0.03 0.34 0.05 0.00 -0.44 0.00 0.00 34.13 34.12 1u8f s GLU 172 CO 0.73 -0.30 0.51 0.20 0.95 0.00 0.00 175.26 177.35 1u8f s GLY 173 N -2.04 -0.40 -0.07 -3.83 0.00 0.12 -1.12 107.32 99.99 1u8f s GLY 173 Ca 0.03 0.68 0.03 0.00 0.00 0.00 0.00 44.72 45.46 1u8f s GLY 173 CO -0.05 0.38 -0.17 1.08 0.00 0.00 0.00 173.10 174.35 1u8f s LEU 174 N -1.70 1.84 0.05 0.66 1.43 -0.19 -2.89 118.68 117.87 1u8f s LEU 174 Ca -0.08 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1u8f s LEU 174 Cb -0.01 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 1u8f s LEU 174 CO 0.02 0.10 -0.16 -0.32 0.23 0.00 0.00 176.35 176.22 1u8f s MET 175 N 0.38 2.11 -0.04 1.70 -2.45 0.13 -1.15 119.30 119.99 1u8f s MET 175 Ca -0.12 -0.97 0.02 0.00 -1.25 0.00 0.00 55.69 53.37 1u8f s MET 175 Cb -0.15 -2.23 0.01 0.00 1.25 0.00 0.00 34.83 33.71 1u8f s MET 175 CO 0.04 0.54 -0.09 0.99 1.05 0.00 0.00 175.02 177.55 1u8f s THR 176 N -0.97 0.86 -0.14 10.11 2.01 -0.34 -1.06 115.64 126.10 1u8f s THR 176 Ca 0.16 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.81 1u8f s THR 176 Cb -0.11 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.62 1u8f s THR 176 CO 0.07 0.28 -0.20 0.28 -0.69 0.00 0.00 174.62 174.35 1u8f s THR 177 N 0.44 2.26 -0.46 -0.82 -1.32 -0.80 -0.32 115.64 114.62 1u8f s THR 177 Ca -0.08 -0.92 -0.20 0.00 -1.21 0.00 0.00 61.69 59.28 1u8f s THR 177 Cb -0.12 -1.91 0.03 0.00 -1.51 0.00 0.00 72.50 68.99 1u8f s THR 177 CO 0.01 0.54 0.62 -0.69 -2.21 0.00 0.00 174.62 172.90 1u8f s VAL 178 N 0.73 4.85 -0.05 5.08 1.01 -0.39 -1.28 120.40 130.35 1u8f s VAL 178 Ca -0.09 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1u8f s VAL 178 Cb -0.16 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1u8f s VAL 178 CO 0.01 -0.65 -0.11 -2.28 0.00 0.00 0.00 175.10 172.06 1u8f s HIS 179 N 2.73 2.80 0.82 5.22 5.04 0.02 -1.17 115.29 130.75 1u8f s HIS 179 Ca 0.20 -0.08 -0.11 0.00 -1.54 0.00 0.00 55.06 53.53 1u8f s HIS 179 Cb -0.16 -1.66 0.09 0.00 0.04 0.00 0.00 32.58 30.89 1u8f s HIS 179 CO 0.16 0.26 1.12 0.00 -2.34 0.00 0.00 174.74 173.94 1u8f s ALA 180 N -0.78 1.98 0.73 1.58 0.00 -1.25 -1.26 121.76 122.75 1u8f s ALA 180 Ca 0.12 0.41 -0.13 0.00 0.00 0.00 0.00 51.96 52.36 1u8f s ALA 180 Cb -0.11 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.71 1u8f s ALA 180 CO 0.01 -2.12 1.12 0.96 0.00 0.00 0.00 175.76 175.73 1u8f s ILE 181 N -2.77 3.06 0.35 0.00 -4.36 -0.31 -4.76 121.20 112.41 1u8f s ILE 181 Ca 0.64 0.43 0.04 0.00 -0.26 0.00 0.00 60.65 61.49 1u8f s ILE 181 Cb -0.20 -2.90 -0.03 0.00 1.25 0.00 0.00 42.46 40.58 1u8f s ILE 181 CO 0.56 -0.37 0.15 0.42 0.24 0.00 0.00 174.94 175.94 1u8f s THR 182 N -2.53 0.45 0.50 8.37 -4.23 -1.26 -4.73 115.64 112.22 1u8f s THR 182 Ca 0.66 -2.00 0.41 0.00 -1.18 0.00 0.00 61.69 59.58 1u8f s THR 182 Cb -0.20 -2.46 0.42 0.00 1.34 0.00 0.00 72.50 71.59 1u8f s THR 182 CO 0.49 0.00 2.25 0.00 -0.54 0.00 0.00 174.62 176.82 1u8f h ALA 183 N 2.03 1.00 0.00 3.99 0.00 -1.99 -1.93 119.26 122.36 1u8f h ALA 183 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1u8f h ALA 183 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1u8f h ALA 183 CO 0.53 0.00 0.00 1.79 0.00 0.00 0.00 179.25 181.57 1u8f h THR 184 N 0.00 0.00 -3.95 0.00 1.35 -1.99 -3.46 112.91 104.86 1u8f h THR 184 Ca 0.00 -0.51 -0.46 0.00 -0.55 0.00 0.00 66.41 64.90 1u8f h THR 184 Cb 0.07 1.43 0.11 0.00 -1.73 0.00 0.00 68.15 68.03 1u8f h THR 184 CO 0.00 0.00 0.34 -1.10 -0.25 0.00 0.00 175.52 174.51 1u8f s GLN 185 N -3.26 1.56 0.09 4.72 -0.21 -0.73 -4.96 119.66 116.88 1u8f s GLN 185 Ca 0.07 -0.28 0.09 0.00 0.02 0.00 0.00 55.36 55.26 1u8f s GLN 185 Cb 0.10 -2.01 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 1u8f s GLN 185 CO 0.55 -1.76 -0.20 0.15 -2.12 0.00 0.00 175.29 171.91 1u8f s LYS 186 N -5.55 1.81 0.23 2.91 -0.14 -1.26 -5.01 119.74 112.74 1u8f s LYS 186 Ca 0.66 -1.14 0.02 0.00 -1.36 0.00 0.00 55.97 54.15 1u8f s LYS 186 Cb -0.08 -2.10 0.23 0.00 -1.68 0.00 0.00 37.83 34.20 1u8f s LYS 186 CO 0.49 0.49 1.56 1.79 -0.76 0.00 0.00 175.35 178.92 1u8f h THR 187 N 3.73 1.35 -4.19 2.17 1.35 -1.91 0.17 112.91 115.59 1u8f h THR 187 Ca -0.49 -1.86 -0.13 0.00 -0.55 0.00 0.00 66.41 63.39 1u8f h THR 187 Cb 1.16 1.88 -0.15 0.00 -1.73 0.00 0.00 68.15 69.32 1u8f h THR 187 CO 0.45 0.56 -0.61 0.68 -0.25 0.00 0.00 175.52 176.36 1u8f s VAL 188 N -3.89 0.18 -0.44 6.82 -7.23 -1.26 -4.09 120.40 110.49 1u8f s VAL 188 Ca -0.05 -1.71 -0.41 0.00 -1.81 0.00 0.00 61.98 58.00 1u8f s VAL 188 Cb 0.12 -1.62 -0.16 0.00 0.56 0.00 0.00 36.38 35.28 1u8f s VAL 188 CO 0.81 -0.80 2.13 0.47 -0.31 0.00 0.00 175.10 177.41 1u8f n ASP 189 N 0.02 1.31 -3.24 4.85 9.92 -1.26 -4.27 116.55 123.89 1u8f n ASP 189 Ca -0.12 0.60 -0.20 0.00 -0.53 0.00 0.00 54.79 54.55 1u8f n ASP 189 Cb 0.62 -1.04 -0.07 0.00 -0.64 0.00 0.00 41.12 39.98 1u8f n ASP 189 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u8f n GLY 190 N 6.98 2.98 3.72 0.44 0.00 0.44 -4.92 105.19 114.84 1u8f n GLY 190 Ca 0.49 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 1u8f n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u8f s PRO 191 N -3.34 4.37 -0.43 1.61 0.04 -1.26 -4.47 135.00 131.51 1u8f s PRO 191 Ca 0.36 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.50 1u8f s PRO 191 Cb 0.02 -3.24 0.34 0.00 0.04 0.00 0.00 34.50 31.66 1u8f s PRO 191 CO 0.26 -0.33 1.10 0.45 0.04 0.00 0.00 177.00 178.52 1u8f n SER 192 N 3.40 -1.75 -0.55 6.66 2.88 -1.26 -4.85 113.62 118.15 1u8f n SER 192 Ca 0.09 -3.39 0.44 0.00 -1.33 0.00 0.00 58.87 54.68 1u8f n SER 192 Cb 0.43 1.39 0.73 0.00 -0.75 0.00 0.00 64.21 66.01 1u8f n SER 192 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1u8f h GLY 193 N 2.84 0.74 1.35 0.46 0.00 -1.95 -0.35 103.07 106.17 1u8f h GLY 193 Ca -0.10 -0.06 -0.29 0.00 0.00 0.00 0.00 47.33 46.88 1u8f h GLY 193 CO 0.16 -0.24 -1.45 0.50 0.00 0.00 0.00 176.54 175.51 1u8f h LYS 194 N 0.03 0.24 -2.80 4.80 1.57 -2.03 -3.41 116.57 114.97 1u8f h LYS 194 Ca 0.87 -0.41 -0.60 0.00 -1.87 0.00 0.00 60.65 58.63 1u8f h LYS 194 Cb 3.09 0.15 -0.40 0.00 0.08 0.00 0.00 32.23 35.16 1u8f h LYS 194 CO -0.25 1.12 -0.78 -0.51 -0.57 0.00 0.00 179.45 178.46 1u8f s LEU 195 N -6.99 2.52 0.28 2.94 1.43 -0.17 -5.01 118.68 113.68 1u8f s LEU 195 Ca -0.07 -2.89 0.02 0.00 -1.03 0.00 0.00 54.13 50.16 1u8f s LEU 195 Cb 0.07 -0.91 0.64 0.00 0.03 0.00 0.00 46.19 46.02 1u8f s LEU 195 CO 0.86 -0.22 1.75 -0.50 0.23 0.00 0.00 176.35 178.47 1u8f h TRP 196 N 6.27 0.82 -0.22 0.29 4.06 -1.72 -1.55 115.95 123.89 1u8f h TRP 196 Ca 0.09 0.04 -0.06 0.00 2.06 0.00 0.00 58.89 61.02 1u8f h TRP 196 Cb 0.90 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.82 1u8f h TRP 196 CO 0.46 0.14 -0.14 0.00 -3.56 0.00 0.00 178.44 175.33 1u8f h ARG 197 N 0.60 0.37 0.00 0.49 3.08 -1.91 -2.49 114.38 114.52 1u8f h ARG 197 Ca 0.52 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.47 1u8f h ARG 197 Cb 0.83 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1u8f h ARG 197 CO -0.41 0.51 0.00 -0.25 -1.07 0.00 0.00 179.97 178.75 1u8f n ASP 198 N -4.22 0.55 0.06 7.04 8.00 -0.59 -2.09 116.55 125.30 1u8f n ASP 198 Ca -0.00 0.66 0.12 0.00 0.71 0.00 0.00 54.79 56.28 1u8f n ASP 198 Cb 0.31 -0.77 0.23 0.00 -0.02 0.00 0.00 41.12 40.87 1u8f n ASP 198 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u8f n GLY 199 N -0.28 -1.47 3.77 0.44 0.00 -0.94 -4.04 105.19 102.68 1u8f n GLY 199 Ca 0.02 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1u8f n GLY 199 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u8f s ARG 200 N -3.14 3.40 -0.37 1.61 1.81 -0.89 -0.42 118.95 120.95 1u8f s ARG 200 Ca 0.08 1.68 -0.43 0.00 -1.72 0.00 0.00 55.73 55.34 1u8f s ARG 200 Cb 0.13 -2.09 -0.17 0.00 -0.45 0.00 0.00 34.95 32.38 1u8f s ARG 200 CO 0.69 -0.83 1.72 0.41 -0.68 0.00 0.00 175.30 176.61 1u8f n GLY 201 N 0.27 0.58 0.18 -3.53 0.00 -1.26 -4.51 105.19 96.92 1u8f n GLY 201 Ca 0.11 0.97 0.04 0.00 0.00 0.00 0.00 46.02 47.14 1u8f n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8f h ALA 202 N 6.63 1.10 0.03 4.61 0.00 -0.80 -2.64 119.26 128.19 1u8f h ALA 202 Ca -0.44 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 53.88 1u8f h ALA 202 Cb 1.34 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1u8f h ALA 202 CO 0.97 0.50 -1.04 1.25 0.00 0.00 0.00 179.25 180.94 1u8f h LEU 203 N 0.00 0.12 0.00 0.00 5.85 -1.79 -3.35 115.31 116.13 1u8f h LEU 203 Ca -0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1u8f h LEU 203 Cb 0.84 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1u8f h LEU 203 CO 0.05 1.07 -0.85 1.56 -0.34 0.00 0.00 178.44 179.94 1u8f h GLN 204 N 0.02 0.00 -6.01 1.25 4.20 -1.86 -3.45 115.11 109.26 1u8f h GLN 204 Ca -0.04 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.13 1u8f h GLN 204 Cb 1.78 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 29.38 1u8f h GLN 204 CO 0.15 0.00 -0.79 -0.80 -0.67 0.00 0.00 178.83 176.72 1u8f s ASN 205 N -5.36 2.79 -0.26 1.46 -0.87 -1.00 -5.08 114.94 106.62 1u8f s ASN 205 Ca 0.01 -0.87 -0.13 0.00 -1.57 0.00 0.00 52.86 50.30 1u8f s ASN 205 Cb 0.09 -0.17 -0.04 0.00 -0.02 0.00 0.00 41.25 41.11 1u8f s ASN 205 CO 0.77 -0.02 0.27 -0.63 -2.57 0.00 0.00 177.10 174.92 1u8f s ILE 206 N -2.03 5.26 -0.23 0.60 1.01 -1.26 -4.24 121.20 120.31 1u8f s ILE 206 Ca 0.17 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.21 1u8f s ILE 206 Cb -0.06 -3.60 0.04 0.00 0.01 0.00 0.00 42.46 38.85 1u8f s ILE 206 CO 0.07 0.24 -0.13 -0.63 0.00 0.00 0.00 174.94 174.49 1u8f s ILE 207 N 1.62 2.27 0.39 2.92 1.01 0.44 -4.91 121.20 124.94 1u8f s ILE 207 Ca 0.11 -1.27 -0.26 0.00 0.00 0.00 0.00 60.65 59.24 1u8f s ILE 207 Cb -0.15 -2.16 -0.09 0.00 0.01 0.00 0.00 42.46 40.07 1u8f s ILE 207 CO 0.09 0.22 1.21 -2.16 0.00 0.00 0.00 174.94 174.30 1u8f s PRO 208 N 1.21 4.11 -0.04 2.79 0.04 -1.26 -0.10 135.00 141.75 1u8f s PRO 208 Ca -0.02 1.95 -0.15 0.00 0.04 0.00 0.00 61.00 62.81 1u8f s PRO 208 Cb -0.17 -2.77 0.03 0.00 0.04 0.00 0.00 34.50 31.63 1u8f s PRO 208 CO -0.08 -0.31 0.34 0.00 0.04 0.00 0.00 177.00 177.00 1u8f s ALA 209 N -1.33 -0.87 0.47 8.56 0.00 0.67 -4.82 121.76 124.44 1u8f s ALA 209 Ca 0.55 0.52 -0.13 0.00 0.00 0.00 0.00 51.96 52.90 1u8f s ALA 209 Cb -0.33 -0.05 -0.07 0.00 0.00 0.00 0.00 23.12 22.66 1u8f s ALA 209 CO 0.43 -0.25 0.89 -1.54 0.00 0.00 0.00 175.76 175.28 1u8f s SER 210 N -1.04 6.55 -0.24 0.00 1.04 -1.26 -0.47 113.70 118.27 1u8f s SER 210 Ca -0.11 1.35 -0.21 0.00 0.48 0.00 0.00 55.95 57.46 1u8f s SER 210 Cb -0.04 -2.42 0.06 0.00 0.10 0.00 0.00 66.02 63.72 1u8f s SER 210 CO 0.04 -0.52 0.64 0.28 0.98 0.00 0.00 173.24 174.66 1u8f s THR 211 N -2.55 -0.00 -1.42 2.02 -1.32 -1.26 -4.79 115.64 106.32 1u8f s THR 211 Ca 0.55 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 61.23 1u8f s THR 211 Cb -0.10 -0.90 0.70 0.00 -1.51 0.00 0.00 72.50 70.69 1u8f s THR 211 CO 0.33 0.00 1.60 0.61 -2.21 0.00 0.00 174.62 174.95 1u8f n GLY 212 N 2.95 2.59 0.36 6.08 0.00 -1.26 -4.52 105.19 111.39 1u8f n GLY 212 Ca -0.15 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.09 1u8f n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8f h ALA 213 N 4.21 1.57 -0.15 4.61 0.00 -1.96 0.43 119.26 127.98 1u8f h ALA 213 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1u8f h ALA 213 Cb 1.30 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1u8f h ALA 213 CO 0.16 0.30 -0.35 0.00 0.00 0.00 0.00 179.25 179.36 1u8f h ALA 214 N 1.54 0.24 -0.50 0.00 0.00 -1.89 -3.03 119.26 115.62 1u8f h ALA 214 Ca 0.36 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1u8f h ALA 214 Cb 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1u8f h ALA 214 CO -0.13 0.31 0.14 -0.22 0.00 0.00 0.00 179.25 179.35 1u8f h LYS 215 N 0.13 0.74 0.00 0.00 3.64 -1.51 -2.18 116.57 117.39 1u8f h LYS 215 Ca -0.00 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1u8f h LYS 215 Cb 0.96 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1u8f h LYS 215 CO 0.08 0.65 -0.05 0.00 -2.27 0.00 0.00 179.45 177.86 1u8f h ALA 216 N 1.44 1.29 0.00 5.00 0.00 -0.83 -1.27 119.26 124.88 1u8f h ALA 216 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1u8f h ALA 216 Cb 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1u8f h ALA 216 CO -0.01 0.07 -0.08 0.28 0.00 0.00 0.00 179.25 179.51 1u8f h VAL 217 N 0.00 0.77 0.00 0.00 2.07 -1.27 0.55 116.25 118.36 1u8f h VAL 217 Ca -0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1u8f h VAL 217 Cb 0.18 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1u8f h VAL 217 CO 0.01 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1u8f n GLY 218 N -1.09 -1.16 0.13 2.17 0.00 -0.48 -0.57 105.19 104.19 1u8f n GLY 218 Ca -0.03 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1u8f n GLY 218 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u8f h LYS 219 N 0.00 0.27 0.00 1.61 1.79 -1.03 -3.16 116.57 116.05 1u8f h LYS 219 Ca 0.00 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1u8f h LYS 219 Cb 0.30 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1u8f h LYS 219 CO 0.00 1.22 -0.16 -0.39 -1.08 0.00 0.00 179.45 179.04 1u8f h VAL 220 N -0.23 0.00 -2.73 0.50 -1.51 -1.44 -3.37 116.25 107.47 1u8f h VAL 220 Ca -0.31 -0.92 -0.60 0.00 -1.23 0.00 0.00 66.70 63.63 1u8f h VAL 220 Cb 1.82 1.83 -0.40 0.00 -2.13 0.00 0.00 31.29 32.42 1u8f h VAL 220 CO 0.08 0.00 -0.79 -0.63 -1.23 0.00 0.00 177.57 175.00 1u8f s ILE 221 N -3.22 1.35 0.36 7.19 1.01 0.27 -4.60 121.20 123.55 1u8f s ILE 221 Ca 0.06 -3.08 0.18 0.00 0.00 0.00 0.00 60.65 57.81 1u8f s ILE 221 Cb 0.07 -1.91 0.34 0.00 0.01 0.00 0.00 42.46 40.97 1u8f s ILE 221 CO 0.68 -1.08 1.61 -0.65 0.00 0.00 0.00 174.94 175.51 1u8f h PRO 222 N 5.87 0.13 0.00 2.79 0.11 -1.72 0.89 132.00 140.08 1u8f h PRO 222 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1u8f h PRO 222 Cb 0.87 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1u8f h PRO 222 CO 0.50 0.09 0.00 0.93 -0.21 0.00 0.00 178.00 179.30 1u8f h GLU 223 N 0.14 0.00 -0.69 1.05 5.08 -1.94 -1.41 114.58 116.80 1u8f h GLU 223 Ca 0.79 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.15 1u8f h GLU 223 Cb 1.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1u8f h GLU 223 CO -0.71 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 178.58 1u8f n LEU 224 N -3.01 3.70 -4.69 1.33 4.77 0.30 -4.90 117.00 114.51 1u8f n LEU 224 Ca -0.02 -1.85 -0.44 0.00 -0.03 0.00 0.00 56.01 53.67 1u8f n LEU 224 Cb 0.15 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 1u8f n LEU 224 CO 0.22 0.91 1.43 -3.20 -1.33 0.00 0.00 177.39 175.43 1u8f n ASN 225 N 1.50 3.80 0.00 -1.43 5.15 -0.54 -1.17 115.26 122.57 1u8f n ASN 225 Ca 0.23 1.00 0.00 0.00 -0.60 0.00 0.00 54.58 55.21 1u8f n ASN 225 Cb 0.59 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 38.34 1u8f n ASN 225 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u8f n GLY 226 N 4.12 0.49 0.56 8.20 0.00 -1.26 -4.86 105.19 112.44 1u8f n GLY 226 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1u8f n GLY 226 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u8f n LYS 227 N -1.89 1.53 -3.94 1.61 5.02 -0.32 -4.98 118.16 115.19 1u8f n LYS 227 Ca 0.00 -1.23 -0.10 0.00 -2.02 0.00 0.00 58.31 54.96 1u8f n LYS 227 Cb 0.09 -1.32 -0.12 0.00 -0.02 0.00 0.00 35.03 33.66 1u8f n LYS 227 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1u8f s LEU 228 N -1.73 2.14 0.30 -0.35 1.43 -1.25 -0.70 118.68 118.52 1u8f s LEU 228 Ca 0.18 -0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 52.75 1u8f s LEU 228 Cb 0.14 0.10 0.07 0.00 0.03 0.00 0.00 46.19 46.52 1u8f s LEU 228 CO 0.31 -0.22 0.92 0.28 0.23 0.00 0.00 176.35 177.87 1u8f s THR 229 N -1.04 0.00 -2.11 5.49 -1.32 -1.14 -3.54 115.64 111.98 1u8f s THR 229 Ca -0.11 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 1u8f s THR 229 Cb -0.07 -2.99 0.00 0.00 -1.51 0.00 0.00 72.50 67.93 1u8f s THR 229 CO -0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1u8f n GLY 230 N -0.63 -0.77 1.88 6.08 0.00 -1.26 -0.69 105.19 109.80 1u8f n GLY 230 Ca -0.06 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 45.03 1u8f n GLY 230 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1u8f n MET 231 N 0.00 0.46 -4.14 1.61 0.00 -0.23 -4.45 117.12 110.37 1u8f n MET 231 Ca 0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 57.70 56.22 1u8f n MET 231 Cb 0.00 1.46 -0.10 0.00 0.00 0.00 0.00 33.22 34.58 1u8f n MET 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1u8f s ALA 232 N -1.98 0.83 -0.13 3.17 0.00 0.38 -1.90 121.76 122.12 1u8f s ALA 232 Ca 0.13 -1.31 -0.00 0.00 0.00 0.00 0.00 51.96 50.78 1u8f s ALA 232 Cb -0.01 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.34 1u8f s ALA 232 CO 0.09 -0.28 -0.10 -0.06 0.00 0.00 0.00 175.76 175.42 1u8f s PHE 233 N -3.73 1.74 -0.06 0.00 0.08 -0.40 -0.24 117.98 115.37 1u8f s PHE 233 Ca 0.10 -0.93 -0.22 0.00 0.12 0.00 0.00 56.93 56.00 1u8f s PHE 233 Cb 0.06 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 1u8f s PHE 233 CO -0.06 -0.57 0.66 1.03 -0.10 0.00 0.00 175.22 176.17 1u8f s ARG 234 N 1.63 4.41 0.18 0.44 1.81 0.86 -0.80 118.95 127.48 1u8f s ARG 234 Ca 0.05 0.81 0.08 0.00 -1.72 0.00 0.00 55.73 54.95 1u8f s ARG 234 Cb -0.13 -3.42 -0.04 0.00 -0.45 0.00 0.00 34.95 30.91 1u8f s ARG 234 CO -0.09 0.14 -0.16 0.14 -0.68 0.00 0.00 175.30 174.65 1u8f s VAL 235 N 0.57 1.74 -0.20 3.52 -7.23 -0.39 -0.42 120.40 117.99 1u8f s VAL 235 Ca 0.35 -2.02 -0.02 0.00 -1.81 0.00 0.00 61.98 58.48 1u8f s VAL 235 Cb -0.18 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 1u8f s VAL 235 CO 0.17 -0.44 1.26 -2.65 -0.31 0.00 0.00 175.10 173.13 1u8f n PRO 236 N 0.03 0.56 -4.34 4.82 -0.02 -1.26 -3.36 135.00 131.43 1u8f n PRO 236 Ca -0.11 -0.61 -0.20 0.00 -2.02 0.00 0.00 63.50 60.56 1u8f n PRO 236 Cb 0.58 -1.97 -0.13 0.00 -0.02 0.00 0.00 33.50 31.96 1u8f n PRO 236 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1u8f s THR 237 N 3.92 1.15 -0.15 3.45 -4.23 -1.26 -5.01 115.64 113.50 1u8f s THR 237 Ca 0.12 -1.06 0.23 0.00 -1.18 0.00 0.00 61.69 59.80 1u8f s THR 237 Cb 0.04 -1.05 0.25 0.00 1.34 0.00 0.00 72.50 73.08 1u8f s THR 237 CO -0.01 -0.02 1.67 0.00 -0.54 0.00 0.00 174.62 175.72 1u8f h ALA 238 N 4.82 0.91 -2.36 3.99 0.00 -1.88 -0.82 119.26 123.93 1u8f h ALA 238 Ca -0.39 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.45 1u8f h ALA 238 Cb 1.18 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 1u8f h ALA 238 CO 0.43 0.24 0.47 1.21 0.00 0.00 0.00 179.25 181.60 1u8f s ASN 239 N -6.20 -0.36 0.00 0.00 2.47 -1.26 -4.63 114.94 104.96 1u8f s ASN 239 Ca 0.04 -0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.27 1u8f s ASN 239 Cb 0.07 0.42 0.00 0.00 -1.45 0.00 0.00 41.25 40.29 1u8f s ASN 239 CO 0.66 -0.68 0.00 0.52 -3.72 0.00 0.00 177.10 173.88 1u8f n VAL 240 N -0.28 -1.21 -4.47 -5.21 0.31 -1.26 -4.87 118.33 101.33 1u8f n VAL 240 Ca -0.09 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.01 1u8f n VAL 240 Cb 0.62 -1.21 -0.09 0.00 -0.91 0.00 0.00 33.84 32.25 1u8f n VAL 240 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1u8f s SER 241 N -0.46 2.47 -0.03 4.52 0.01 0.18 -3.92 113.70 116.47 1u8f s SER 241 Ca 0.00 -1.54 -0.03 0.00 1.31 0.00 0.00 55.95 55.69 1u8f s SER 241 Cb 0.00 0.26 0.01 0.00 0.21 0.00 0.00 66.02 66.50 1u8f s SER 241 CO 0.00 -0.80 0.09 0.54 0.41 0.00 0.00 173.24 173.48 1u8f s VAL 242 N -3.30 0.00 -0.09 3.43 0.11 -0.32 -1.23 120.40 119.00 1u8f s VAL 242 Ca 0.30 -0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.25 1u8f s VAL 242 Cb 0.05 -0.13 -0.05 0.00 -1.53 0.00 0.00 36.38 34.72 1u8f s VAL 242 CO 0.15 -0.00 0.23 -0.69 -3.33 0.00 0.00 175.10 171.46 1u8f s VAL 243 N 0.05 5.35 -0.37 2.04 1.01 0.13 -1.27 120.40 127.34 1u8f s VAL 243 Ca -0.00 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.42 1u8f s VAL 243 Cb -0.01 -3.51 0.11 0.00 0.00 0.00 0.00 36.38 32.97 1u8f s VAL 243 CO 0.00 0.58 0.13 -0.62 0.00 0.00 0.00 175.10 175.19 1u8f s ASP 244 N -0.84 4.19 -0.30 3.32 3.68 0.56 -1.30 116.67 125.98 1u8f s ASP 244 Ca 0.17 -2.17 -0.12 0.00 2.13 0.00 0.00 52.55 52.57 1u8f s ASP 244 Cb -0.13 -1.21 -0.04 0.00 -1.45 0.00 0.00 42.92 40.09 1u8f s ASP 244 CO 0.06 -0.35 0.20 -0.22 0.13 0.00 0.00 175.17 175.00 1u8f s LEU 245 N 0.91 4.19 -0.33 -1.34 2.96 0.27 -1.20 118.68 124.14 1u8f s LEU 245 Ca 0.13 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 1u8f s LEU 245 Cb -0.20 -2.12 0.02 0.00 0.50 0.00 0.00 46.19 44.39 1u8f s LEU 245 CO -0.11 -0.12 0.12 -0.89 -1.32 0.00 0.00 176.35 174.03 1u8f s THR 246 N 1.74 4.11 0.10 3.68 2.01 -0.30 0.14 115.64 127.12 1u8f s THR 246 Ca 0.07 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.24 1u8f s THR 246 Cb -0.17 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1u8f s THR 246 CO 0.11 -0.08 -0.08 0.00 -0.69 0.00 0.00 174.62 173.87 1u8f s ARG 248 N -3.25 3.94 0.01 0.00 0.52 -0.27 -1.93 118.95 117.96 1u8f s ARG 248 Ca 0.08 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 1u8f s ARG 248 Cb 0.01 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 1u8f s ARG 248 CO -0.02 0.41 0.07 -0.51 0.02 0.00 0.00 175.30 175.27 1u8f s LEU 249 N 0.04 3.82 -0.06 2.53 1.43 -0.01 -0.43 118.68 125.99 1u8f s LEU 249 Ca 0.08 0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 53.02 1u8f s LEU 249 Cb -0.12 -2.27 -0.21 0.00 0.03 0.00 0.00 46.19 43.63 1u8f s LEU 249 CO -0.00 0.26 1.04 -0.33 0.23 0.00 0.00 176.35 177.55 1u8f h GLU 250 N 4.00 -0.03 -5.96 1.70 5.08 -0.34 -3.45 114.58 115.58 1u8f h GLU 250 Ca -0.49 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.26 1u8f h GLU 250 Cb 1.18 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1u8f h GLU 250 CO 0.62 0.60 -0.43 0.15 -1.00 0.00 0.00 179.01 178.96 1u8f s LYS 251 N -3.47 3.52 0.44 2.33 1.02 -0.05 -5.05 119.74 118.47 1u8f s LYS 251 Ca -0.16 -0.26 -0.26 0.00 0.02 0.00 0.00 55.97 55.31 1u8f s LYS 251 Cb -0.00 -3.00 -0.09 0.00 -0.52 0.00 0.00 37.83 34.22 1u8f s LYS 251 CO 0.64 0.59 1.43 -2.14 -0.92 0.00 0.00 175.35 174.95 1u8f s PRO 252 N -2.32 3.76 -0.26 -1.68 0.02 -1.26 -4.84 135.00 128.42 1u8f s PRO 252 Ca 0.34 2.43 -0.02 0.00 0.02 0.00 0.00 61.00 63.77 1u8f s PRO 252 Cb -0.13 -2.71 0.15 0.00 0.02 0.00 0.00 34.50 31.83 1u8f s PRO 252 CO 0.23 -0.76 0.42 0.00 -0.33 0.00 0.00 177.00 176.57 1u8f s ALA 253 N -1.19 -1.33 0.72 -1.55 0.00 -0.42 -5.03 121.76 112.96 1u8f s ALA 253 Ca 0.60 1.03 -0.14 0.00 0.00 0.00 0.00 51.96 53.44 1u8f s ALA 253 Cb -0.44 -1.81 0.03 0.00 0.00 0.00 0.00 23.12 20.91 1u8f s ALA 253 CO 0.57 -1.32 1.15 0.15 0.00 0.00 0.00 175.76 176.31 1u8f s LYS 254 N 2.61 2.31 0.32 0.00 -0.14 -1.26 -4.62 119.74 118.96 1u8f s LYS 254 Ca 0.14 1.53 -0.01 0.00 -1.36 0.00 0.00 55.97 56.28 1u8f s LYS 254 Cb -0.15 -1.88 0.51 0.00 -1.68 0.00 0.00 37.83 34.63 1u8f s LYS 254 CO -0.18 -1.65 1.98 -0.92 -0.76 0.00 0.00 175.35 173.82 1u8f h TYR 255 N -0.39 0.95 0.00 3.18 3.20 -1.97 -0.80 116.97 121.14 1u8f h TYR 255 Ca -0.46 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.39 1u8f h TYR 255 Cb 1.27 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 1u8f h TYR 255 CO 0.51 0.60 -0.19 -0.44 -1.64 0.00 0.00 178.16 177.00 1u8f h ASP 256 N 1.03 0.00 -0.28 -2.11 3.32 -1.99 -0.95 116.42 115.44 1u8f h ASP 256 Ca 0.28 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.17 1u8f h ASP 256 Cb -0.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1u8f h ASP 256 CO -0.06 0.19 -0.40 0.44 -1.72 0.00 0.00 179.24 177.69 1u8f h ASP 257 N 0.00 0.89 -0.28 6.45 3.32 -1.50 -1.60 116.42 123.68 1u8f h ASP 257 Ca -0.00 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 1u8f h ASP 257 Cb 0.38 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1u8f h ASP 257 CO 0.02 1.17 0.09 0.40 -1.72 0.00 0.00 179.24 179.21 1u8f h ILE 258 N 0.68 1.20 -0.62 0.35 2.04 -0.87 -2.01 117.51 118.27 1u8f h ILE 258 Ca 0.05 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.33 1u8f h ILE 258 Cb 0.97 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1u8f h ILE 258 CO 0.09 0.21 0.36 0.11 0.00 0.00 0.00 178.15 178.92 1u8f h LYS 259 N 0.30 0.68 -0.13 2.37 1.57 -1.10 -1.48 116.57 118.78 1u8f h LYS 259 Ca 0.09 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1u8f h LYS 259 Cb 0.23 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1u8f h LYS 259 CO -0.00 0.45 0.03 -0.22 -0.57 0.00 0.00 179.45 179.14 1u8f h LYS 260 N 0.70 0.09 -0.09 3.15 3.64 -1.00 -0.02 116.57 123.05 1u8f h LYS 260 Ca 0.26 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.53 1u8f h LYS 260 Cb 0.08 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1u8f h LYS 260 CO -0.13 0.06 -0.42 -0.39 -2.27 0.00 0.00 179.45 176.29 1u8f h VAL 261 N 0.09 1.32 -0.15 2.00 -1.51 -1.16 -1.19 116.25 115.65 1u8f h VAL 261 Ca 0.05 -1.54 -0.18 0.00 -1.23 0.00 0.00 66.70 63.81 1u8f h VAL 261 Cb 0.04 1.72 0.01 0.00 -2.13 0.00 0.00 31.29 30.93 1u8f h VAL 261 CO -0.06 0.46 -0.59 0.58 -1.23 0.00 0.00 177.57 176.72 1u8f h VAL 262 N 0.16 1.32 -0.47 7.19 2.07 -1.06 -1.76 116.25 123.70 1u8f h VAL 262 Ca 0.01 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 1u8f h VAL 262 Cb 0.82 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1u8f h VAL 262 CO 0.06 0.57 0.27 0.50 0.02 0.00 0.00 177.57 179.00 1u8f h LYS 263 N 0.36 0.65 -0.62 1.57 3.64 -0.87 -0.63 116.57 120.66 1u8f h LYS 263 Ca -0.03 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1u8f h LYS 263 Cb 1.22 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1u8f h LYS 263 CO 0.12 0.49 0.41 0.37 -2.27 0.00 0.00 179.45 178.57 1u8f h GLN 264 N 0.62 0.80 -0.69 1.90 4.15 -1.20 -1.70 115.11 119.00 1u8f h GLN 264 Ca 0.17 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 1u8f h GLN 264 Cb 0.02 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 1u8f h GLN 264 CO -0.03 0.53 0.27 0.00 -1.93 0.00 0.00 178.83 177.67 1u8f h ALA 265 N 1.24 0.89 0.00 3.38 0.00 -0.93 -2.22 119.26 121.62 1u8f h ALA 265 Ca 0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1u8f h ALA 265 Cb -0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1u8f h ALA 265 CO -0.06 0.52 -0.18 0.66 0.00 0.00 0.00 179.25 180.19 1u8f h SER 266 N 0.98 0.00 0.26 0.00 4.64 -0.61 -1.03 113.55 117.78 1u8f h SER 266 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1u8f h SER 266 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1u8f h SER 266 CO -0.02 0.18 -0.63 -0.62 -0.87 0.00 0.00 176.83 174.87 1u8f n GLU 267 N -3.60 0.20 0.00 4.77 1.02 -0.68 -3.47 120.64 118.87 1u8f n GLU 267 Ca -0.01 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1u8f n GLU 267 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1u8f n GLU 267 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u8f n GLY 268 N 1.47 1.48 0.40 0.62 0.00 -0.86 -4.82 105.19 103.50 1u8f n GLY 268 Ca 0.06 -0.04 0.22 0.00 0.00 0.00 0.00 46.02 46.26 1u8f n GLY 268 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u8f h PRO 269 N 0.00 0.03 -0.30 1.61 0.13 -1.80 -2.51 132.00 129.16 1u8f h PRO 269 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1u8f h PRO 269 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1u8f h PRO 269 CO 0.00 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.07 1u8f n LEU 270 N -4.36 3.81 -4.66 1.56 4.77 -0.43 -4.99 117.00 112.71 1u8f n LEU 270 Ca 0.13 -2.81 -0.46 0.00 -0.03 0.00 0.00 56.01 52.83 1u8f n LEU 270 Cb 0.70 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1u8f n LEU 270 CO 0.37 0.69 1.13 1.17 -1.33 0.00 0.00 177.39 179.42 1u8f n LYS 271 N -0.23 2.02 0.00 3.23 4.81 -0.95 -0.53 118.16 126.51 1u8f n LYS 271 Ca 0.20 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 1u8f n LYS 271 Cb 0.82 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.41 1u8f n LYS 271 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u8f n GLY 272 N 3.10 2.69 0.39 3.14 0.00 -1.26 -4.76 105.19 108.50 1u8f n GLY 272 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1u8f n GLY 272 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1u8f n ILE 273 N -2.00 1.35 -3.74 -0.61 5.41 0.24 -4.28 119.36 115.72 1u8f n ILE 273 Ca 0.00 0.13 -0.37 0.00 1.00 0.00 0.00 62.75 63.51 1u8f n ILE 273 Cb 0.00 -2.04 -0.12 0.00 -0.71 0.00 0.00 39.64 36.76 1u8f n ILE 273 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1u8f s LEU 274 N -7.51 3.51 0.37 1.39 2.96 0.31 -0.75 118.68 118.96 1u8f s LEU 274 Ca -0.21 -0.22 0.07 0.00 -0.22 0.00 0.00 54.13 53.55 1u8f s LEU 274 Cb 0.04 -1.94 -0.00 0.00 0.50 0.00 0.00 46.19 44.79 1u8f s LEU 274 CO 0.30 -0.05 0.49 -0.83 -1.32 0.00 0.00 176.35 174.95 1u8f s GLY 275 N 1.62 1.78 -0.04 7.98 0.00 0.32 -4.31 107.32 114.67 1u8f s GLY 275 Ca 0.06 -1.58 -0.02 0.00 0.00 0.00 0.00 44.72 43.19 1u8f s GLY 275 CO 0.04 -1.45 0.09 -0.47 0.00 0.00 0.00 173.10 171.31 1u8f s TYR 276 N -2.27 -0.07 0.01 1.90 5.04 -1.26 -0.75 117.35 119.95 1u8f s TYR 276 Ca 0.49 0.30 -0.06 0.00 -2.44 0.00 0.00 57.07 55.35 1u8f s TYR 276 Cb -0.09 -0.14 -0.00 0.00 0.35 0.00 0.00 41.96 42.08 1u8f s TYR 276 CO 0.31 -0.12 0.11 -0.08 -1.34 0.00 0.00 175.55 174.43 1u8f s THR 277 N 1.01 0.09 -0.25 4.34 -1.32 -0.63 -4.95 115.64 113.93 1u8f s THR 277 Ca -0.08 -0.73 0.02 0.00 -1.21 0.00 0.00 61.69 59.69 1u8f s THR 277 Cb -0.11 -0.40 0.02 0.00 -1.51 0.00 0.00 72.50 70.50 1u8f s THR 277 CO -0.04 -0.40 0.65 -0.62 -2.21 0.00 0.00 174.62 172.00 1u8f n GLU 278 N 1.47 -0.09 -1.39 7.08 1.02 -1.26 -1.52 120.64 125.95 1u8f n GLU 278 Ca -0.23 -0.79 -0.31 0.00 -0.02 0.00 0.00 57.16 55.81 1u8f n GLU 278 Cb 0.55 -1.04 0.08 0.00 -0.02 0.00 0.00 31.44 31.01 1u8f n GLU 278 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1u8f s HIS 279 N -0.31 2.78 -1.48 -0.32 3.76 -1.26 -4.69 115.29 113.76 1u8f s HIS 279 Ca 0.03 1.47 -0.11 0.00 -0.15 0.00 0.00 55.06 56.30 1u8f s HIS 279 Cb 0.02 -2.99 0.02 0.00 1.11 0.00 0.00 32.58 30.74 1u8f s HIS 279 CO 0.03 -1.60 2.47 1.04 -0.85 0.00 0.00 174.74 175.82 1u8f n GLN 280 N -3.38 3.46 -2.08 1.40 1.13 -1.26 -4.82 117.38 111.83 1u8f n GLN 280 Ca 0.08 -2.68 -0.30 0.00 -1.94 0.00 0.00 57.00 52.17 1u8f n GLN 280 Cb 0.53 -2.99 0.01 0.00 0.11 0.00 0.00 30.24 27.90 1u8f n GLN 280 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1u8f s VAL 281 N 1.95 4.75 0.28 5.09 -7.23 -1.26 -5.10 120.40 118.88 1u8f s VAL 281 Ca 0.55 0.68 0.02 0.00 -1.81 0.00 0.00 61.98 61.43 1u8f s VAL 281 Cb 0.15 -3.86 -0.06 0.00 0.56 0.00 0.00 36.38 33.17 1u8f s VAL 281 CO -0.07 -1.06 0.07 0.68 -0.31 0.00 0.00 175.10 174.42 1u8f s VAL 282 N -3.06 0.84 0.26 1.32 -7.23 -1.26 -5.06 120.40 106.21 1u8f s VAL 282 Ca 0.53 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1u8f s VAL 282 Cb -0.11 -2.66 0.26 0.00 0.56 0.00 0.00 36.38 34.43 1u8f s VAL 282 CO 0.51 -0.04 1.69 0.77 -0.31 0.00 0.00 175.10 177.73 1u8f h SER 283 N 2.30 0.14 -0.22 4.85 4.64 -1.98 -1.48 113.55 121.80 1u8f h SER 283 Ca -0.39 0.15 0.06 0.00 -0.47 0.00 0.00 61.79 61.14 1u8f h SER 283 Cb 1.24 0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.50 1u8f h SER 283 CO 0.64 -0.02 0.21 0.28 -0.87 0.00 0.00 176.83 177.08 1u8f h SER 284 N 0.33 0.00 0.33 4.97 0.02 -1.97 -0.94 113.55 116.28 1u8f h SER 284 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1u8f h SER 284 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1u8f h SER 284 CO -0.52 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 175.64 1u8f n ASP 285 N -3.97 0.00 -0.76 3.07 8.00 -0.56 -1.53 116.55 120.80 1u8f n ASP 285 Ca 0.02 0.46 0.07 0.00 0.71 0.00 0.00 54.79 56.05 1u8f n ASP 285 Cb 0.34 -0.48 0.18 0.00 -0.02 0.00 0.00 41.12 41.15 1u8f n ASP 285 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1u8f n PHE 286 N -1.48 0.57 -1.79 1.24 3.72 -0.36 -4.89 117.46 114.48 1u8f n PHE 286 Ca 0.03 -0.51 -0.42 0.00 -0.05 0.00 0.00 57.45 56.49 1u8f n PHE 286 Cb 0.11 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1u8f n PHE 286 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1u8f s ASN 287 N -1.03 6.50 -1.54 4.37 0.01 -0.58 -1.36 114.94 121.30 1u8f s ASN 287 Ca 0.28 2.63 0.00 0.00 -0.71 0.00 0.00 52.86 55.06 1u8f s ASN 287 Cb 0.15 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.25 1u8f s ASN 287 CO 0.18 -0.98 0.00 -1.20 -1.51 0.00 0.00 177.10 173.60 1u8f n SER 288 N 6.14 -4.77 -4.70 -1.22 7.64 -1.26 -4.98 113.62 110.47 1u8f n SER 288 Ca 0.18 0.30 -0.41 0.00 1.01 0.00 0.00 58.87 59.94 1u8f n SER 288 Cb 0.40 -3.66 -0.04 0.00 -1.01 0.00 0.00 64.21 59.91 1u8f n SER 288 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1u8f s ASP 289 N -2.74 7.16 0.00 6.43 -1.08 -0.46 -4.95 116.67 121.02 1u8f s ASP 289 Ca 0.00 1.41 0.31 0.00 -0.52 0.00 0.00 52.55 53.75 1u8f s ASP 289 Cb 0.00 -2.50 1.72 0.00 -1.46 0.00 0.00 42.92 40.69 1u8f s ASP 289 CO 0.00 -0.26 2.13 0.35 0.52 0.00 0.00 175.17 177.91 1u8f n THR 290 N 4.09 0.01 -1.86 1.71 -2.24 -1.26 -3.68 114.28 111.05 1u8f n THR 290 Ca 0.04 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.49 1u8f n THR 290 Cb 0.50 -0.51 0.04 0.00 -2.10 0.00 0.00 70.33 68.26 1u8f n THR 290 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1u8f s HIS 291 N -2.23 2.70 -0.04 4.78 3.76 -1.26 -4.57 115.29 118.43 1u8f s HIS 291 Ca 0.39 1.54 0.12 0.00 -0.15 0.00 0.00 55.06 56.97 1u8f s HIS 291 Cb 0.21 -3.15 -0.12 0.00 1.11 0.00 0.00 32.58 30.63 1u8f s HIS 291 CO 0.40 -1.56 1.12 0.77 -0.85 0.00 0.00 174.74 174.62 1u8f h SER 292 N 0.23 0.00 -3.27 1.40 0.02 -1.14 -3.40 113.55 107.39 1u8f h SER 292 Ca -0.47 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 1u8f h SER 292 Cb 1.24 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.57 1u8f h SER 292 CO 0.55 0.77 0.02 -0.55 -1.14 0.00 0.00 176.83 176.47 1u8f s SER 293 N -6.33 -0.86 -0.23 3.07 0.15 -0.68 -3.68 113.70 105.13 1u8f s SER 293 Ca 0.00 1.44 0.00 0.00 0.70 0.00 0.00 55.95 58.10 1u8f s SER 293 Cb 0.09 1.35 0.06 0.00 -1.71 0.00 0.00 66.02 65.81 1u8f s SER 293 CO 0.80 -0.24 -0.04 -0.89 1.20 0.00 0.00 173.24 174.07 1u8f s THR 294 N 1.30 1.40 0.11 6.45 2.01 -0.23 0.12 115.64 126.80 1u8f s THR 294 Ca -0.07 -1.15 -0.31 0.00 0.31 0.00 0.00 61.69 60.47 1u8f s THR 294 Cb -0.05 -1.70 -0.09 0.00 0.01 0.00 0.00 72.50 70.67 1u8f s THR 294 CO -0.14 -0.13 1.60 0.12 -0.69 0.00 0.00 174.62 175.38 1u8f s PHE 295 N 1.45 2.73 -0.68 4.92 5.36 0.07 -0.86 117.98 130.98 1u8f s PHE 295 Ca -0.05 0.48 -0.12 0.00 -0.96 0.00 0.00 56.93 56.28 1u8f s PHE 295 Cb -0.19 -3.93 0.17 0.00 -0.34 0.00 0.00 43.02 38.74 1u8f s PHE 295 CO -0.07 -3.60 0.60 0.34 -1.46 0.00 0.00 175.22 171.03 1u8f s ASP 296 N 1.81 6.28 0.19 6.13 -1.08 0.25 -1.60 116.67 128.64 1u8f s ASP 296 Ca 0.72 -2.37 -0.12 0.00 -0.52 0.00 0.00 52.55 50.26 1u8f s ASP 296 Cb -0.41 -2.14 0.18 0.00 -1.46 0.00 0.00 42.92 39.09 1u8f s ASP 296 CO 0.32 -0.64 1.75 0.00 0.52 0.00 0.00 175.17 177.11 1u8f h ALA 297 N 8.07 0.62 0.00 3.66 0.00 -1.56 -2.87 119.26 127.18 1u8f h ALA 297 Ca -0.06 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1u8f h ALA 297 Cb 1.05 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1u8f h ALA 297 CO 0.84 -0.22 -0.17 0.78 0.00 0.00 0.00 179.25 180.49 1u8f h GLY 298 N 0.36 0.00 1.97 0.00 0.00 -1.84 -3.28 103.07 100.28 1u8f h GLY 298 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.39 1u8f h GLY 298 CO -0.25 0.00 -0.91 0.00 0.00 0.00 0.00 176.54 175.38 1u8f h ALA 299 N 1.83 0.43 -2.45 3.60 0.00 -1.88 -3.47 119.26 117.32 1u8f h ALA 299 Ca -0.00 -0.82 -0.46 0.00 0.00 0.00 0.00 54.91 53.63 1u8f h ALA 299 Cb 0.78 -0.13 0.13 0.00 0.00 0.00 0.00 17.79 18.58 1u8f h ALA 299 CO 0.02 1.12 0.30 0.20 0.00 0.00 0.00 179.25 180.89 1u8f s GLY 300 N -4.66 1.59 -0.21 0.00 0.00 -1.20 -4.91 107.32 97.93 1u8f s GLY 300 Ca 0.02 -0.58 -0.23 0.00 0.00 0.00 0.00 44.72 43.93 1u8f s GLY 300 CO 0.80 0.00 0.63 -1.50 0.00 0.00 0.00 173.10 173.03 1u8f s ILE 301 N -3.30 0.00 -0.03 0.90 2.07 -0.61 -5.02 121.20 115.21 1u8f s ILE 301 Ca 0.64 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.87 1u8f s ILE 301 Cb -0.14 -0.88 -0.04 0.00 0.13 0.00 0.00 42.46 41.53 1u8f s ILE 301 CO 0.53 -0.01 0.02 0.00 -1.91 0.00 0.00 174.94 173.57 1u8f s ALA 302 N 0.11 3.34 -0.18 1.50 0.00 -1.26 -0.73 121.76 124.53 1u8f s ALA 302 Ca -0.02 -0.89 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 1u8f s ALA 302 Cb -0.04 -1.43 -0.22 0.00 0.00 0.00 0.00 23.12 21.43 1u8f s ALA 302 CO 0.02 0.63 0.17 -0.11 0.00 0.00 0.00 175.76 176.47 1u8f n LEU 303 N 1.61 2.49 -3.89 0.00 7.94 -0.49 -5.00 117.00 119.67 1u8f n LEU 303 Ca -0.16 0.20 -0.10 0.00 -1.11 0.00 0.00 56.01 54.84 1u8f n LEU 303 Cb 0.53 -1.03 0.01 0.00 0.53 0.00 0.00 43.42 43.46 1u8f n LEU 303 CO 0.33 0.73 0.42 0.54 -1.11 0.00 0.00 177.39 178.30 1u8f s ASN 304 N -6.95 0.26 0.15 1.96 2.20 -1.12 -5.01 114.94 106.44 1u8f s ASN 304 Ca -0.27 -1.24 0.11 0.00 -0.94 0.00 0.00 52.86 50.52 1u8f s ASN 304 Cb 0.08 0.80 0.58 0.00 -2.00 0.00 0.00 41.25 40.71 1u8f s ASN 304 CO 0.68 -1.58 1.34 0.47 -2.94 0.00 0.00 177.10 175.07 1u8f n ASP 305 N -1.40 0.27 0.00 3.54 8.00 -1.26 -2.43 116.55 123.26 1u8f n ASP 305 Ca -0.06 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.07 1u8f n ASP 305 Cb 0.60 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1u8f n ASP 305 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1u8f n HIS 306 N -1.86 0.00 -3.59 1.24 8.25 -1.26 -1.31 115.22 116.69 1u8f n HIS 306 Ca -0.00 -0.28 -0.21 0.00 -0.26 0.00 0.00 57.72 56.96 1u8f n HIS 306 Cb 0.03 -0.03 -0.15 0.00 1.12 0.00 0.00 29.99 30.96 1u8f n HIS 306 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1u8f s PHE 307 N -0.57 -0.04 0.05 4.41 5.36 -1.02 -0.83 117.98 125.34 1u8f s PHE 307 Ca 0.00 0.08 -0.01 0.00 -0.96 0.00 0.00 56.93 56.04 1u8f s PHE 307 Cb 0.00 -0.49 -0.04 0.00 -0.34 0.00 0.00 43.02 42.16 1u8f s PHE 307 CO 0.00 -0.47 -0.02 0.14 -1.46 0.00 0.00 175.22 173.41 1u8f s VAL 308 N 2.23 0.20 -0.23 3.12 -7.23 -0.82 -1.39 120.40 116.29 1u8f s VAL 308 Ca 0.04 -1.65 -0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1u8f s VAL 308 Cb -0.15 -1.33 0.02 0.00 0.56 0.00 0.00 36.38 35.48 1u8f s VAL 308 CO -0.09 -0.91 -0.11 -0.75 -0.31 0.00 0.00 175.10 172.93 1u8f s LYS 309 N -3.56 2.87 -0.09 4.82 2.20 0.09 -1.18 119.74 124.88 1u8f s LYS 309 Ca 0.04 -0.94 -0.00 0.00 -0.36 0.00 0.00 55.97 54.70 1u8f s LYS 309 Cb 0.05 -2.85 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 1u8f s LYS 309 CO -0.09 -0.34 -0.07 -0.51 -0.36 0.00 0.00 175.35 173.98 1u8f s LEU 310 N 1.30 3.11 -0.14 5.43 1.43 0.12 -1.57 118.68 128.37 1u8f s LEU 310 Ca 0.01 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1u8f s LEU 310 Cb -0.16 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1u8f s LEU 310 CO -0.07 0.30 -0.10 -0.63 0.23 0.00 0.00 176.35 176.08 1u8f s ILE 311 N -0.44 3.28 -0.02 -0.59 -1.09 -1.26 -0.56 121.20 120.52 1u8f s ILE 311 Ca 0.06 -0.58 -0.00 0.00 -2.23 0.00 0.00 60.65 57.90 1u8f s ILE 311 Cb -0.12 -2.40 0.03 0.00 -1.58 0.00 0.00 42.46 38.39 1u8f s ILE 311 CO 0.02 0.51 0.03 -0.55 -1.23 0.00 0.00 174.94 173.73 1u8f s SER 312 N 0.37 0.16 0.33 3.58 0.15 -0.42 -0.59 113.70 117.29 1u8f s SER 312 Ca -0.09 0.04 -0.08 0.00 0.70 0.00 0.00 55.95 56.51 1u8f s SER 312 Cb -0.15 -0.09 -0.06 0.00 -1.71 0.00 0.00 66.02 64.01 1u8f s SER 312 CO 0.05 -0.13 0.65 0.26 1.20 0.00 0.00 173.24 175.27 1u8f s TRP 313 N 1.14 3.46 -0.25 3.44 0.52 -0.04 0.22 118.94 127.43 1u8f s TRP 313 Ca -0.08 0.88 -0.14 0.00 0.02 0.00 0.00 56.10 56.78 1u8f s TRP 313 Cb -0.13 -2.29 0.08 0.00 -1.15 0.00 0.00 33.47 29.98 1u8f s TRP 313 CO -0.03 0.07 0.61 1.52 0.02 0.00 0.00 176.95 179.14 1u8f s TYR 314 N -2.16 -0.97 -0.68 -1.98 -0.85 -0.36 -1.06 117.35 109.29 1u8f s TYR 314 Ca 0.48 1.93 -0.27 0.00 -0.52 0.00 0.00 57.07 58.69 1u8f s TYR 314 Cb -0.11 0.55 0.02 0.00 0.38 0.00 0.00 41.96 42.81 1u8f s TYR 314 CO 0.28 -0.49 1.32 0.34 -1.52 0.00 0.00 175.55 175.48 1u8f s ASP 315 N 1.71 6.16 0.58 -0.18 -1.08 -1.26 -0.65 116.67 121.95 1u8f s ASP 315 Ca -0.09 -0.19 0.27 0.00 -0.52 0.00 0.00 52.55 52.02 1u8f s ASP 315 Cb -0.07 -2.55 1.64 0.00 -1.46 0.00 0.00 42.92 40.48 1u8f s ASP 315 CO -0.18 -1.79 2.15 -0.55 0.52 0.00 0.00 175.17 175.32 1u8f h ASN 316 N 10.39 0.00 0.00 -0.34 -1.07 -1.90 -1.47 115.58 121.18 1u8f h ASN 316 Ca -0.27 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 55.95 1u8f h ASN 316 Cb 1.06 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.29 1u8f h ASN 316 CO 1.24 0.00 -0.95 -0.33 0.07 0.00 0.00 177.43 177.46 1u8f h GLU 317 N 0.00 0.00 -0.14 4.14 5.08 -1.97 -3.38 114.58 118.31 1u8f h GLU 317 Ca 0.06 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1u8f h GLU 317 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1u8f h GLU 317 CO -0.00 0.66 -0.38 0.35 -1.00 0.00 0.00 179.01 178.64 1u8f h PHE 318 N -1.00 0.65 0.34 4.33 3.04 -1.86 -2.58 116.94 119.85 1u8f h PHE 318 Ca -0.22 -0.26 -0.02 0.00 3.98 0.00 0.00 57.97 61.46 1u8f h PHE 318 Cb 1.01 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.41 1u8f h PHE 318 CO 0.00 1.00 -0.16 0.78 -2.02 0.00 0.00 178.31 177.91 1u8f h GLY 319 N 0.12 -0.47 0.71 2.40 0.00 -1.34 -2.24 103.07 102.24 1u8f h GLY 319 Ca -0.01 0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.54 1u8f h GLY 319 CO 0.08 -0.17 0.14 -1.82 0.00 0.00 0.00 176.54 174.78 1u8f h TYR 320 N -0.51 0.26 -0.97 5.60 3.20 -1.71 -1.37 116.97 121.48 1u8f h TYR 320 Ca -0.05 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.90 1u8f h TYR 320 Cb 0.38 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 1u8f h TYR 320 CO -0.04 0.11 0.63 0.77 -1.64 0.00 0.00 178.16 177.99 1u8f h SER 321 N 0.31 1.00 0.06 -2.11 0.02 -1.40 -0.67 113.55 110.76 1u8f h SER 321 Ca 0.17 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 1u8f h SER 321 Cb 0.13 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1u8f h SER 321 CO -0.16 0.65 -0.35 0.78 -1.14 0.00 0.00 176.83 176.61 1u8f h ASN 322 N 1.14 0.42 -0.15 3.07 2.35 -0.76 -2.81 115.58 118.84 1u8f h ASN 322 Ca 0.41 -0.16 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 1u8f h ASN 322 Cb 0.14 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1u8f h ASN 322 CO -0.15 0.74 -0.22 0.03 -1.65 0.00 0.00 177.43 176.18 1u8f h ARG 323 N 0.35 0.59 -0.79 0.81 2.47 -0.10 -0.25 114.38 117.46 1u8f h ARG 323 Ca 0.04 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1u8f h ARG 323 Cb 0.78 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 29.02 1u8f h ARG 323 CO 0.06 0.77 0.49 0.28 0.56 0.00 0.00 179.97 182.13 1u8f h VAL 324 N 0.52 1.21 -0.27 2.04 2.07 -0.96 0.23 116.25 121.09 1u8f h VAL 324 Ca 0.08 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1u8f h VAL 324 Cb 0.66 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1u8f h VAL 324 CO 0.05 0.22 -0.10 0.58 0.02 0.00 0.00 177.57 178.34 1u8f h VAL 325 N 1.07 1.29 -0.92 2.57 2.07 -1.27 -2.12 116.25 118.94 1u8f h VAL 325 Ca 0.28 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.66 1u8f h VAL 325 Cb -0.07 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1u8f h VAL 325 CO -0.06 0.37 0.61 0.44 0.02 0.00 0.00 177.57 178.94 1u8f h ASP 326 N 0.30 1.03 -0.33 0.57 3.32 -0.59 -0.48 116.42 120.24 1u8f h ASP 326 Ca 0.06 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1u8f h ASP 326 Cb 0.60 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1u8f h ASP 326 CO 0.03 0.74 0.04 0.25 -1.72 0.00 0.00 179.24 178.58 1u8f h LEU 327 N 1.21 0.53 -1.10 1.55 5.85 -0.43 -1.05 115.31 121.87 1u8f h LEU 327 Ca 0.34 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1u8f h LEU 327 Cb -0.10 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1u8f h LEU 327 CO -0.08 0.67 0.07 0.24 -0.34 0.00 0.00 178.44 178.99 1u8f h MET 328 N 0.37 0.70 -0.70 1.25 2.86 -0.90 0.68 114.93 119.19 1u8f h MET 328 Ca 0.10 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1u8f h MET 328 Cb 0.37 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1u8f h MET 328 CO 0.01 0.67 0.21 0.00 1.06 0.00 0.00 176.91 178.86 1u8f h ALA 329 N 1.40 0.92 -0.35 6.32 0.00 -0.85 -0.61 119.26 126.10 1u8f h ALA 329 Ca 0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1u8f h ALA 329 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1u8f h ALA 329 CO 0.01 0.61 0.07 1.25 0.00 0.00 0.00 179.25 181.18 1u8f h HIS 330 N 1.04 0.61 -0.67 0.00 6.17 -0.36 -2.53 115.15 119.39 1u8f h HIS 330 Ca 0.22 -0.08 0.05 0.00 0.71 0.00 0.00 60.37 61.27 1u8f h HIS 330 Cb 0.32 -0.17 -0.05 0.00 2.52 0.00 0.00 27.41 30.03 1u8f h HIS 330 CO 0.02 0.62 0.39 0.52 0.71 0.00 0.00 177.93 180.20 1u8f h MET 331 N 0.41 0.72 -0.80 5.26 2.86 -0.57 -2.04 114.93 120.77 1u8f h MET 331 Ca 0.11 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1u8f h MET 331 Cb 0.34 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 1u8f h MET 331 CO 0.01 0.47 0.53 0.00 1.06 0.00 0.00 176.91 178.98 1u8f h ALA 332 N 1.33 1.44 0.00 6.32 0.00 -0.92 -0.70 119.26 126.73 1u8f h ALA 332 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1u8f h ALA 332 Cb 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1u8f h ALA 332 CO -0.16 0.52 0.00 -1.13 0.00 0.00 0.00 179.25 178.49 1u8f n SER 333 N -4.42 0.20 -0.72 0.00 3.41 -0.78 -2.41 113.62 108.90 1u8f n SER 333 Ca 0.09 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.32 1u8f n SER 333 Cb 0.03 -0.59 0.13 0.00 -0.26 0.00 0.00 64.21 63.52 1u8f n SER 333 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1u8f n LYS 334 N -1.73 1.90 0.00 4.33 4.76 -0.29 -5.11 118.16 122.02 1u8f n LYS 334 Ca 0.03 -1.79 0.01 0.00 -2.87 0.00 0.00 58.31 53.69 1u8f n LYS 334 Cb 0.18 -1.32 0.07 0.00 -1.84 0.00 0.00 35.03 32.12 1u8f n LYS 334 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42