#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1su8 n ASN 5 N 0.00 0.00 0.16 1.08 4.13 -1.26 -0.88 115.26 118.48 1su8 n ASN 5 Ca 0.00 0.22 0.12 0.00 1.68 0.00 0.00 54.58 56.61 1su8 n ASN 5 Cb 0.00 -0.38 0.28 0.00 -1.54 0.00 0.00 39.78 38.14 1su8 n ASN 5 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1su8 h LEU 6 N 0.00 0.00 0.00 3.41 6.46 -2.02 -3.35 115.31 119.81 1su8 h LEU 6 Ca 0.00 -0.01 -0.30 0.00 -0.12 0.00 0.00 57.88 57.45 1su8 h LEU 6 Cb 0.25 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 1su8 h LEU 6 CO 0.00 0.00 -1.64 0.29 -0.62 0.00 0.00 178.44 176.47 1su8 n LYS 7 N -2.65 0.57 -3.88 1.25 5.02 -0.06 -4.36 118.16 114.05 1su8 n LYS 7 Ca 0.05 0.49 -0.12 0.00 -2.02 0.00 0.00 58.31 56.71 1su8 n LYS 7 Cb 0.48 -1.67 -0.13 0.00 -0.02 0.00 0.00 35.03 33.68 1su8 n LYS 7 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1su8 s SER 8 N -7.04 0.01 0.00 4.39 0.15 -0.57 -1.15 113.70 109.49 1su8 s SER 8 Ca -0.32 -0.03 0.30 0.00 0.70 0.00 0.00 55.95 56.59 1su8 s SER 8 Cb 0.09 0.04 1.40 0.00 -1.71 0.00 0.00 66.02 65.84 1su8 s SER 8 CO 0.56 -0.04 1.96 0.35 1.20 0.00 0.00 173.24 177.27 1su8 n THR 9 N 2.88 0.00 -2.85 6.45 -2.24 -0.68 -4.10 114.28 113.74 1su8 n THR 9 Ca -0.14 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1su8 n THR 9 Cb 0.59 -0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 1su8 n THR 9 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1su8 s ASP 10 N -2.38 6.83 0.43 3.42 -1.08 -1.26 -4.95 116.67 117.69 1su8 s ASP 10 Ca 0.33 0.98 0.14 0.00 -0.52 0.00 0.00 52.55 53.48 1su8 s ASP 10 Cb 0.20 -2.45 0.95 0.00 -1.46 0.00 0.00 42.92 40.16 1su8 s ASP 10 CO 0.44 -0.60 1.97 0.03 0.52 0.00 0.00 175.17 177.53 1su8 h ARG 11 N 7.81 0.01 -0.33 4.34 3.08 -1.95 -0.16 114.38 127.18 1su8 h ARG 11 Ca -0.23 -0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.65 1su8 h ARG 11 Cb 1.09 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 1su8 h ARG 11 CO 0.91 0.22 -0.46 0.00 -1.07 0.00 0.00 179.97 179.56 1su8 h ALA 12 N 1.78 0.54 -0.50 0.04 0.00 -1.93 -1.77 119.26 117.43 1su8 h ALA 12 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1su8 h ALA 12 Cb 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1su8 h ALA 12 CO 0.03 0.68 0.26 0.28 0.00 0.00 0.00 179.25 180.50 1su8 h VAL 13 N 0.71 1.18 -0.81 0.00 2.07 -1.82 -1.85 116.25 115.74 1su8 h VAL 13 Ca 0.04 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1su8 h VAL 13 Cb 1.06 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1su8 h VAL 13 CO 0.11 0.20 0.49 1.56 0.02 0.00 0.00 177.57 179.95 1su8 h GLN 14 N 0.66 0.88 -0.75 1.57 4.20 -0.88 0.15 115.11 120.94 1su8 h GLN 14 Ca 0.17 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 1su8 h GLN 14 Cb 0.08 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1su8 h GLN 14 CO -0.03 0.58 0.24 0.37 -0.67 0.00 0.00 178.83 179.33 1su8 h GLN 15 N 0.91 1.17 0.00 1.46 4.15 -0.96 -1.84 115.11 120.00 1su8 h GLN 15 Ca 0.35 -0.25 -0.11 0.00 0.77 0.00 0.00 58.65 59.41 1su8 h GLN 15 Cb 0.16 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1su8 h GLN 15 CO -0.17 0.99 -0.54 0.52 -1.93 0.00 0.00 178.83 177.71 1su8 h MET 16 N 1.12 0.00 -0.43 1.69 2.86 -0.59 -2.08 114.93 117.50 1su8 h MET 16 Ca 0.24 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.81 1su8 h MET 16 Cb 0.30 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1su8 h MET 16 CO -0.01 0.54 -0.05 -0.07 1.06 0.00 0.00 176.91 178.38 1su8 h LEU 17 N 0.00 0.71 -0.70 1.22 3.38 -0.20 0.16 115.31 119.88 1su8 h LEU 17 Ca -0.01 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1su8 h LEU 17 Cb 1.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1su8 h LEU 17 CO 0.07 0.81 0.02 0.44 0.09 0.00 0.00 178.44 179.87 1su8 h ASP 18 N 0.68 0.99 -0.44 -0.43 3.32 -1.03 -0.33 116.42 119.18 1su8 h ASP 18 Ca 0.13 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 1su8 h ASP 18 Cb 0.49 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1su8 h ASP 18 CO 0.03 1.04 0.09 0.50 -1.72 0.00 0.00 179.24 179.17 1su8 h LYS 19 N 0.94 0.71 -0.87 3.56 3.64 -0.84 -1.37 116.57 122.34 1su8 h LYS 19 Ca 0.17 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1su8 h LYS 19 Cb 0.52 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1su8 h LYS 19 CO 0.03 0.73 0.49 0.00 -2.27 0.00 0.00 179.45 178.43 1su8 h ALA 20 N 0.95 1.12 -0.24 5.00 0.00 -0.55 -1.37 119.26 124.17 1su8 h ALA 20 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1su8 h ALA 20 Cb 0.35 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1su8 h ALA 20 CO 0.01 0.61 0.13 -0.22 0.00 0.00 0.00 179.25 179.77 1su8 h LYS 21 N 1.21 0.34 0.00 0.00 3.64 -0.81 -0.20 116.57 120.76 1su8 h LYS 21 Ca 0.31 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1su8 h LYS 21 Cb 0.00 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1su8 h LYS 21 CO -0.05 0.32 0.00 0.07 -2.27 0.00 0.00 179.45 177.52 1su8 h ARG 22 N 0.28 0.00 -0.12 1.90 0.11 -0.92 -2.41 114.38 113.22 1su8 h ARG 22 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 1su8 h ARG 22 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 1su8 h ARG 22 CO -0.01 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.45 1su8 n GLU 23 N -2.72 1.93 -2.06 0.08 1.02 -0.54 -4.95 120.64 113.40 1su8 n GLU 23 Ca 0.03 -1.38 -0.11 0.00 -0.02 0.00 0.00 57.16 55.68 1su8 n GLU 23 Cb 0.41 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.36 1su8 n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1su8 n GLY 24 N 1.24 0.14 3.58 0.62 0.00 -0.29 -4.99 105.19 105.50 1su8 n GLY 24 Ca 0.17 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 1su8 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1su8 s ILE 25 N -2.55 5.12 0.20 -0.61 1.01 -0.25 -5.04 121.20 119.09 1su8 s ILE 25 Ca 0.00 0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 1su8 s ILE 25 Cb 0.00 -3.81 -0.09 0.00 0.01 0.00 0.00 42.46 38.57 1su8 s ILE 25 CO 0.00 -0.02 1.27 -1.58 0.00 0.00 0.00 174.94 174.61 1su8 s GLN 26 N 2.16 4.42 0.44 2.79 0.74 -1.26 -4.54 119.66 124.41 1su8 s GLN 26 Ca 0.15 2.00 0.06 0.00 0.05 0.00 0.00 55.36 57.63 1su8 s GLN 26 Cb -0.16 -3.20 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 1su8 s GLN 26 CO 0.11 -0.20 0.19 0.95 -0.55 0.00 0.00 175.29 175.80 1su8 s THR 27 N 0.01 2.07 0.34 -0.34 -4.23 -1.26 -5.00 115.64 107.24 1su8 s THR 27 Ca 0.55 -1.71 0.08 0.00 -1.18 0.00 0.00 61.69 59.43 1su8 s THR 27 Cb -0.35 -2.78 0.32 0.00 1.34 0.00 0.00 72.50 71.02 1su8 s THR 27 CO 0.38 0.00 1.84 1.62 -0.54 0.00 0.00 174.62 177.92 1su8 h VAL 28 N 1.33 0.80 -0.21 2.29 3.04 -1.96 -0.52 116.25 121.01 1su8 h VAL 28 Ca -0.42 -0.25 -0.12 0.00 -1.01 0.00 0.00 66.70 64.90 1su8 h VAL 28 Cb 1.27 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 1su8 h VAL 28 CO 0.69 0.13 -0.38 -0.50 -1.01 0.00 0.00 177.57 176.51 1su8 h TRP 29 N 0.73 0.56 -0.34 3.17 6.55 -1.95 -0.09 115.95 124.57 1su8 h TRP 29 Ca 0.49 -0.15 -0.15 0.00 0.95 0.00 0.00 58.89 60.03 1su8 h TRP 29 Cb 0.78 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.95 1su8 h TRP 29 CO -0.00 0.79 -0.37 -0.44 -1.05 0.00 0.00 178.44 177.37 1su8 h ASP 30 N 0.40 0.84 -0.06 -3.49 3.32 -1.58 -1.23 116.42 114.62 1su8 h ASP 30 Ca 0.04 -0.37 -0.10 0.00 0.02 0.00 0.00 57.03 56.62 1su8 h ASP 30 Cb 0.84 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1su8 h ASP 30 CO 0.07 1.12 -0.27 0.03 -1.72 0.00 0.00 179.24 178.47 1su8 h ARG 31 N 0.66 0.50 -0.21 3.56 3.08 -0.86 -1.32 114.38 119.79 1su8 h ARG 31 Ca 0.06 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1su8 h ARG 31 Cb 0.92 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1su8 h ARG 31 CO 0.08 0.73 0.07 -0.92 -1.07 0.00 0.00 179.97 178.86 1su8 h TYR 32 N 0.44 0.33 -0.95 3.04 3.20 -0.88 -2.55 116.97 119.60 1su8 h TYR 32 Ca 0.06 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.96 1su8 h TYR 32 Cb 0.71 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 1su8 h TYR 32 CO 0.02 0.40 0.62 1.49 -1.64 0.00 0.00 178.16 179.06 1su8 h GLU 33 N 0.16 1.08 0.00 1.82 4.57 -0.89 -0.56 114.58 120.76 1su8 h GLU 33 Ca 0.07 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1su8 h GLU 33 Cb 0.23 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1su8 h GLU 33 CO -0.00 0.71 0.00 0.00 -1.18 0.00 0.00 179.01 178.54 1su8 h ALA 34 N 1.48 1.00 0.00 2.92 0.00 -1.05 -2.59 119.26 121.02 1su8 h ALA 34 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1su8 h ALA 34 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1su8 h ALA 34 CO -0.15 0.00 -0.76 -0.12 0.00 0.00 0.00 179.25 178.22 1su8 n MET 35 N -2.66 0.30 -2.73 0.00 0.00 -0.23 -4.93 117.12 106.87 1su8 n MET 35 Ca 0.00 0.06 -0.35 0.00 -0.00 0.00 0.00 57.70 57.41 1su8 n MET 35 Cb 0.21 -1.66 -0.06 0.00 0.00 0.00 0.00 33.22 31.71 1su8 n MET 35 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1su8 s LYS 36 N -3.18 4.34 0.29 2.12 1.02 -0.98 -3.35 119.74 120.00 1su8 s LYS 36 Ca 0.05 1.30 -0.28 0.00 0.02 0.00 0.00 55.97 57.06 1su8 s LYS 36 Cb 0.14 -2.51 -0.09 0.00 -0.52 0.00 0.00 37.83 34.84 1su8 s LYS 36 CO 0.75 0.06 0.99 -1.25 -0.92 0.00 0.00 175.35 174.97 1su8 s PRO 37 N -2.57 4.65 0.62 -1.68 0.04 -1.26 -5.06 135.00 129.74 1su8 s PRO 37 Ca 0.56 1.51 -0.12 0.00 0.04 0.00 0.00 61.00 63.00 1su8 s PRO 37 Cb -0.16 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 1su8 s PRO 37 CO 0.21 0.31 1.03 -0.65 0.04 0.00 0.00 177.00 177.94 1su8 s GLN 38 N -1.65 3.52 0.07 4.56 -0.21 -1.21 -4.96 119.66 119.78 1su8 s GLN 38 Ca 0.46 0.81 -0.31 0.00 0.02 0.00 0.00 55.36 56.35 1su8 s GLN 38 Cb -0.25 -2.07 -0.08 0.00 1.00 0.00 0.00 33.01 31.61 1su8 s GLN 38 CO 0.31 -0.63 1.64 0.00 -2.12 0.00 0.00 175.29 174.49 1su8 h GLY 40 N 8.54 0.00 0.66 0.00 0.00 -1.98 -1.60 103.07 108.69 1su8 h GLY 40 Ca -0.42 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1su8 h GLY 40 CO 0.93 0.00 -0.01 0.74 0.00 0.00 0.00 176.54 178.20 1su8 h PHE 41 N 0.00 0.07 -0.53 5.60 0.04 -1.90 -2.19 116.94 118.04 1su8 h PHE 41 Ca -0.00 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 1su8 h PHE 41 Cb 0.91 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.03 1su8 h PHE 41 CO 0.00 0.41 -0.01 0.78 -0.60 0.00 0.00 178.31 178.89 1su8 h GLY 42 N -0.29 0.97 1.41 -1.45 0.00 -1.81 0.48 103.07 102.37 1su8 h GLY 42 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1su8 h GLY 42 CO 0.00 0.63 0.37 0.83 0.00 0.00 0.00 176.54 178.37 1su8 h GLU 43 N 0.83 0.79 -0.01 4.80 5.08 -1.24 -2.04 114.58 122.79 1su8 h GLU 43 Ca 0.15 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1su8 h GLU 43 Cb 0.51 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1su8 h GLU 43 CO 0.03 0.54 -0.32 0.25 -1.00 0.00 0.00 179.01 178.51 1su8 n THR 44 N -4.43 0.00 -0.53 1.13 -2.24 -0.83 -4.22 114.28 103.17 1su8 n THR 44 Ca 0.06 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1su8 n THR 44 Cb 0.06 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1su8 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1su8 n GLY 45 N 1.37 0.95 2.47 3.38 0.00 -0.73 -0.50 105.19 112.14 1su8 n GLY 45 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1su8 n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1su8 n LEU 46 N 0.00 7.65 -3.77 0.99 4.77 0.08 -4.12 117.00 122.61 1su8 n LEU 46 Ca 0.00 -4.65 -0.13 0.00 -0.03 0.00 0.00 56.01 51.20 1su8 n LEU 46 Cb 0.00 -1.34 -0.11 0.00 -2.33 0.00 0.00 43.42 39.64 1su8 n LEU 46 CO 0.00 1.98 -0.04 0.00 -1.33 0.00 0.00 177.39 178.00 1su8 n ARG 49 N 3.66 1.36 0.00 0.00 1.74 -1.26 -0.76 116.66 121.39 1su8 n ARG 49 Ca -0.22 -3.03 0.12 0.00 -0.77 0.00 0.00 57.85 53.96 1su8 n ARG 49 Cb 0.53 -1.21 0.65 0.00 -1.02 0.00 0.00 32.46 31.41 1su8 n ARG 49 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1su8 n HIS 50 N -0.55 0.00 -4.06 -1.55 8.25 -1.26 -4.81 115.22 111.25 1su8 n HIS 50 Ca 0.17 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.51 1su8 n HIS 50 Cb 0.87 -0.24 -0.05 0.00 1.12 0.00 0.00 29.99 31.69 1su8 n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1su8 n LEU 52 N -0.46 0.54 0.18 0.00 4.77 -1.26 -1.91 117.00 118.85 1su8 n LEU 52 Ca -0.00 -0.24 0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1su8 n LEU 52 Cb 0.62 -0.05 0.20 0.00 -2.33 0.00 0.00 43.42 41.87 1su8 n LEU 52 CO 0.27 0.12 0.73 1.56 -1.33 0.00 0.00 177.39 178.74 1su8 h GLN 53 N 0.67 0.00 0.00 3.23 4.20 -1.97 -3.46 115.11 117.78 1su8 h GLN 53 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1su8 h GLN 53 Cb 0.15 0.00 0.06 0.00 0.30 0.00 0.00 27.48 27.98 1su8 h GLN 53 CO 0.00 0.00 0.10 0.41 -0.67 0.00 0.00 178.83 178.67 1su8 n GLY 54 N 1.16 -1.67 3.76 3.46 0.00 -0.81 -4.79 105.19 106.31 1su8 n GLY 54 Ca 0.04 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 1su8 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1su8 s PRO 55 N -3.85 4.54 -0.02 1.61 0.04 -1.26 -5.03 135.00 131.03 1su8 s PRO 55 Ca 0.23 1.86 -0.00 0.00 0.04 0.00 0.00 61.00 63.12 1su8 s PRO 55 Cb -0.01 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 1su8 s PRO 55 CO 0.16 0.11 0.05 0.00 0.04 0.00 0.00 177.00 177.36 1su8 s ARG 57 N -1.53 0.78 -0.06 0.00 1.70 -1.26 -0.60 118.95 117.99 1su8 s ARG 57 Ca 0.20 -1.32 0.02 0.00 -0.47 0.00 0.00 55.73 54.16 1su8 s ARG 57 Cb -0.12 0.23 0.02 0.00 -0.57 0.00 0.00 34.95 34.51 1su8 s ARG 57 CO 0.11 -0.19 -0.09 0.42 -1.08 0.00 0.00 175.30 174.47 1su8 s ILE 58 N -3.98 0.88 0.18 4.99 1.01 -0.87 -4.70 121.20 118.72 1su8 s ILE 58 Ca 0.15 -0.32 -0.32 0.00 0.00 0.00 0.00 60.65 60.17 1su8 s ILE 58 Cb 0.08 -0.84 -0.11 0.00 0.01 0.00 0.00 42.46 41.59 1su8 s ILE 58 CO -0.04 0.30 1.66 0.20 0.00 0.00 0.00 174.94 177.06 1su8 s ASN 59 N 0.85 6.48 0.26 3.58 0.01 -0.41 -4.82 114.94 120.89 1su8 s ASN 59 Ca -0.12 2.75 -0.01 0.00 -0.71 0.00 0.00 52.86 54.77 1su8 s ASN 59 Cb -0.15 -2.60 0.50 0.00 0.41 0.00 0.00 41.25 39.41 1su8 s ASN 59 CO 0.01 -0.91 1.80 -0.65 -1.51 0.00 0.00 177.10 175.85 1su8 h PRO 60 N 6.87 0.76 -3.73 -0.60 0.11 -1.93 -3.43 132.00 130.06 1su8 h PRO 60 Ca -0.43 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 1su8 h PRO 60 Cb 1.20 -0.17 -0.20 0.00 0.11 0.00 0.00 31.00 31.94 1su8 h PRO 60 CO 0.94 0.50 -0.55 -0.06 -0.21 0.00 0.00 178.00 178.62 1su8 s PHE 61 N -5.98 0.15 0.00 0.65 0.08 -1.26 -5.10 117.98 106.51 1su8 s PHE 61 Ca -0.12 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.57 1su8 s PHE 61 Cb 0.21 -0.12 0.00 0.00 -0.57 0.00 0.00 43.02 42.54 1su8 s PHE 61 CO 0.79 -0.29 0.00 0.41 -0.10 0.00 0.00 175.22 176.03 1su8 n GLY 62 N 1.26 0.28 0.00 4.36 0.00 -1.26 -5.05 105.19 104.78 1su8 n GLY 62 Ca -0.22 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1su8 n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1su8 n ASP 63 N 0.00 0.42 -4.74 1.61 8.00 -1.26 -5.05 116.55 115.53 1su8 n ASP 63 Ca 0.00 -0.20 -0.35 0.00 0.71 0.00 0.00 54.79 54.94 1su8 n ASP 63 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 1su8 n ASP 63 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1su8 s GLU 64 N 1.65 2.55 0.29 -1.24 2.02 -1.26 -4.41 118.70 118.29 1su8 s GLU 64 Ca 0.00 1.85 -0.29 0.00 0.02 0.00 0.00 54.97 56.55 1su8 s GLU 64 Cb 0.00 -1.87 -0.09 0.00 0.10 0.00 0.00 34.13 32.26 1su8 s GLU 64 CO 0.00 -1.54 1.05 -1.25 0.02 0.00 0.00 175.26 173.54 1su8 s PRO 65 N -3.58 4.63 -0.00 0.39 0.04 -1.26 -4.90 135.00 130.32 1su8 s PRO 65 Ca 0.77 1.67 0.07 0.00 0.04 0.00 0.00 61.00 63.56 1su8 s PRO 65 Cb -0.32 -3.12 -0.08 0.00 0.04 0.00 0.00 34.50 31.03 1su8 s PRO 65 CO 0.39 0.25 0.26 1.63 0.04 0.00 0.00 177.00 179.57 1su8 n LYS 66 N 1.08 3.76 -3.67 4.56 5.02 -1.26 -1.28 118.16 126.37 1su8 n LYS 66 Ca -0.00 -0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.12 1su8 n LYS 66 Cb 0.46 -0.90 -0.08 0.00 -0.02 0.00 0.00 35.03 34.50 1su8 n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1su8 s VAL 67 N -1.83 0.04 0.86 -0.18 0.11 -1.26 -4.62 120.40 113.52 1su8 s VAL 67 Ca 0.01 -0.30 -0.11 0.00 -2.93 0.00 0.00 61.98 58.65 1su8 s VAL 67 Cb 0.05 -0.78 0.11 0.00 -1.53 0.00 0.00 36.38 34.23 1su8 s VAL 67 CO 0.28 -0.17 1.10 -0.83 -3.33 0.00 0.00 175.10 172.16 1su8 s GLY 68 N -1.33 1.66 0.25 6.54 0.00 0.13 -4.90 107.32 109.66 1su8 s GLY 68 Ca -0.12 0.25 -0.06 0.00 0.00 0.00 0.00 44.72 44.79 1su8 s GLY 68 CO 0.06 0.67 1.93 -2.22 0.00 0.00 0.00 173.10 173.53 1su8 h ILE 69 N -1.50 1.26 0.00 0.90 2.04 -1.95 -0.05 117.51 118.20 1su8 h ILE 69 Ca -0.46 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1su8 h ILE 69 Cb 1.26 -0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1su8 h ILE 69 CO 0.50 0.25 0.00 0.00 0.00 0.00 0.00 178.15 178.90 1su8 n GLY 71 N 0.98 0.63 3.69 0.00 0.00 -0.03 -5.06 105.19 105.40 1su8 n GLY 71 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1su8 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su8 s ALA 72 N -2.00 3.69 0.85 4.61 0.00 -1.25 -4.70 121.76 122.96 1su8 s ALA 72 Ca 0.00 1.23 -0.13 0.00 0.00 0.00 0.00 51.96 53.06 1su8 s ALA 72 Cb 0.00 -3.70 0.12 0.00 0.00 0.00 0.00 23.12 19.54 1su8 s ALA 72 CO 0.00 -1.11 1.22 0.95 0.00 0.00 0.00 175.76 176.82 1su8 s THR 73 N 2.63 2.02 0.27 0.00 -4.23 -1.26 -0.70 115.64 114.36 1su8 s THR 73 Ca 0.74 -0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 61.19 1su8 s THR 73 Cb -0.40 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 70.71 1su8 s THR 73 CO 0.32 0.00 1.92 0.00 -0.54 0.00 0.00 174.62 176.32 1su8 h ALA 74 N -1.22 1.36 -0.23 3.99 0.00 -1.93 -0.12 119.26 121.11 1su8 h ALA 74 Ca -0.45 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 1su8 h ALA 74 Cb 1.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1su8 h ALA 74 CO 0.56 0.55 -0.44 1.05 0.00 0.00 0.00 179.25 180.98 1su8 h GLU 75 N 1.25 0.57 -0.15 0.00 4.11 -1.93 -0.33 114.58 118.11 1su8 h GLU 75 Ca 0.39 -0.31 -0.02 0.00 0.07 0.00 0.00 59.36 59.49 1su8 h GLU 75 Cb -0.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1su8 h GLU 75 CO -0.12 0.90 0.01 0.28 0.07 0.00 0.00 179.01 180.15 1su8 h VAL 76 N 0.47 1.24 -0.50 -1.06 2.07 -1.78 -1.32 116.25 115.37 1su8 h VAL 76 Ca 0.03 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1su8 h VAL 76 Cb 0.95 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1su8 h VAL 76 CO 0.09 0.23 0.30 0.40 0.02 0.00 0.00 177.57 178.60 1su8 h ILE 77 N 0.01 1.16 -0.49 4.57 2.04 -0.87 0.72 117.51 124.66 1su8 h ILE 77 Ca 0.04 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1su8 h ILE 77 Cb 0.34 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1su8 h ILE 77 CO 0.01 0.16 0.14 0.58 0.00 0.00 0.00 178.15 179.04 1su8 h VAL 78 N 0.66 1.23 -0.32 1.67 2.07 -1.05 -1.29 116.25 119.23 1su8 h VAL 78 Ca 0.18 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.81 1su8 h VAL 78 Cb -0.00 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1su8 h VAL 78 CO -0.03 0.28 -0.24 0.00 0.02 0.00 0.00 177.57 177.60 1su8 h ALA 79 N 1.00 0.98 -0.35 1.67 0.00 -0.81 -1.76 119.26 119.98 1su8 h ALA 79 Ca 0.16 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1su8 h ALA 79 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1su8 h ALA 79 CO -0.00 0.60 -0.15 0.00 0.00 0.00 0.00 179.25 179.69 1su8 h ARG 80 N 0.55 0.73 -0.59 0.00 3.08 -0.63 -0.46 114.38 117.06 1su8 h ARG 80 Ca 0.08 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 1su8 h ARG 80 Cb 0.71 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 1su8 h ARG 80 CO 0.05 0.92 0.28 0.78 -1.07 0.00 0.00 179.97 180.93 1su8 h GLY 81 N 0.52 0.91 1.00 0.04 0.00 -1.09 -1.47 103.07 102.98 1su8 h GLY 81 Ca 0.08 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1su8 h GLY 81 CO 0.05 0.44 0.30 -2.00 0.00 0.00 0.00 176.54 175.32 1su8 h LEU 82 N 0.80 0.87 -0.72 3.11 5.85 -1.17 -1.99 115.31 122.07 1su8 h LEU 82 Ca 0.20 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1su8 h LEU 82 Cb 0.13 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1su8 h LEU 82 CO -0.02 0.77 0.36 0.44 -0.34 0.00 0.00 178.44 179.65 1su8 h ASP 83 N 0.91 0.92 -0.33 1.25 5.19 -0.83 -1.21 116.42 122.32 1su8 h ASP 83 Ca 0.22 -0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 1su8 h ASP 83 Cb 0.15 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 1su8 h ASP 83 CO -0.02 0.78 0.11 0.03 -3.12 0.00 0.00 179.24 177.01 1su8 h ARG 84 N 0.99 0.58 -0.64 3.56 3.08 -0.93 -0.70 114.38 120.32 1su8 h ARG 84 Ca 0.25 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 1su8 h ARG 84 Cb 0.09 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1su8 h ARG 84 CO -0.03 0.53 0.07 0.77 -1.07 0.00 0.00 179.97 180.23 1su8 h SER 85 N 0.57 1.04 -0.58 7.04 0.02 -0.57 -0.31 113.55 120.76 1su8 h SER 85 Ca 0.13 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 1su8 h SER 85 Cb 0.20 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1su8 h SER 85 CO -0.01 1.05 0.21 0.40 -1.14 0.00 0.00 176.83 177.34 1su8 h ILE 86 N 1.01 1.23 -0.73 3.27 2.04 -0.68 -0.76 117.51 122.89 1su8 h ILE 86 Ca 0.19 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 1su8 h ILE 86 Cb 0.47 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1su8 h ILE 86 CO 0.02 0.29 0.23 0.00 0.00 0.00 0.00 178.15 178.69 1su8 h ALA 87 N 1.07 0.96 -0.65 1.87 0.00 -0.86 0.09 119.26 121.73 1su8 h ALA 87 Ca 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1su8 h ALA 87 Cb 0.24 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1su8 h ALA 87 CO -0.01 0.64 0.33 0.00 0.00 0.00 0.00 179.25 180.21 1su8 h ALA 88 N 1.11 0.83 -0.38 0.00 0.00 -0.82 0.11 119.26 120.12 1su8 h ALA 88 Ca 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1su8 h ALA 88 Cb 0.31 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1su8 h ALA 88 CO -0.01 0.37 0.20 0.78 0.00 0.00 0.00 179.25 180.60 1su8 h GLY 89 N 0.89 0.57 1.31 0.00 0.00 -0.74 -2.01 103.07 103.09 1su8 h GLY 89 Ca 0.22 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.30 1su8 h GLY 89 CO -0.03 0.25 0.44 0.00 0.00 0.00 0.00 176.54 177.20 1su8 h ALA 90 N 1.06 1.56 -0.36 3.60 0.00 -0.68 -1.58 119.26 122.86 1su8 h ALA 90 Ca 0.13 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1su8 h ALA 90 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1su8 h ALA 90 CO -0.02 0.40 -0.10 0.00 0.00 0.00 0.00 179.25 179.52 1su8 h ALA 91 N 1.59 1.15 0.17 0.00 0.00 -0.31 -1.12 119.26 120.74 1su8 h ALA 91 Ca 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1su8 h ALA 91 Cb -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1su8 h ALA 91 CO -0.06 0.54 -0.08 0.78 0.00 0.00 0.00 179.25 180.43 1su8 h GLY 92 N 0.95 -0.23 1.17 0.00 0.00 -0.60 -1.32 103.07 103.03 1su8 h GLY 92 Ca 0.10 0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.43 1su8 h GLY 92 CO 0.03 -0.09 -0.02 0.45 0.00 0.00 0.00 176.54 176.92 1su8 h HIS 93 N -0.74 1.08 0.00 5.60 -0.00 -1.33 -1.71 115.15 118.05 1su8 h HIS 93 Ca -0.02 -0.18 -0.07 0.00 -0.00 0.00 0.00 60.37 60.09 1su8 h HIS 93 Cb 0.51 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 1su8 h HIS 93 CO 0.07 0.97 -0.35 0.66 -0.00 0.00 0.00 177.93 179.28 1su8 h SER 94 N 0.91 0.00 -0.39 2.45 4.64 -1.32 -1.67 113.55 118.17 1su8 h SER 94 Ca 0.16 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1su8 h SER 94 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1su8 h SER 94 CO 0.03 0.35 0.24 1.23 -0.87 0.00 0.00 176.83 177.80 1su8 h GLY 95 N 3.50 0.56 0.62 -0.77 0.00 -0.87 0.11 103.07 106.21 1su8 h GLY 95 Ca -0.00 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.13 1su8 h GLY 95 CO 0.04 0.22 -0.11 0.84 0.00 0.00 0.00 176.54 177.53 1su8 h HIS 96 N 0.51 -0.29 -0.64 5.60 6.17 -1.18 -1.06 115.15 124.27 1su8 h HIS 96 Ca 0.14 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.21 1su8 h HIS 96 Cb -0.01 0.14 -0.03 0.00 2.52 0.00 0.00 27.41 30.03 1su8 h HIS 96 CO -0.04 -0.17 0.31 0.00 0.71 0.00 0.00 177.93 178.74 1su8 h ALA 97 N 0.87 0.82 -0.89 5.26 0.00 -0.96 -2.04 119.26 122.31 1su8 h ALA 97 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1su8 h ALA 97 Cb 0.25 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1su8 h ALA 97 CO -0.17 0.38 0.58 -0.22 0.00 0.00 0.00 179.25 179.82 1su8 h LYS 98 N 0.88 1.19 -0.28 0.00 3.64 -0.54 0.21 116.57 121.67 1su8 h LYS 98 Ca 0.22 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1su8 h LYS 98 Cb 0.11 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1su8 h LYS 98 CO -0.03 0.80 0.13 1.25 -2.27 0.00 0.00 179.45 179.33 1su8 h HIS 99 N 1.22 0.23 -0.64 1.91 2.76 -0.82 -0.86 115.15 118.94 1su8 h HIS 99 Ca 0.33 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.46 1su8 h HIS 99 Cb -0.11 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 28.75 1su8 h HIS 99 CO -0.01 0.12 0.22 -0.07 -1.30 0.00 0.00 177.93 176.90 1su8 h LEU 100 N 0.27 0.89 -0.52 0.26 3.38 -0.84 -0.91 115.31 117.84 1su8 h LEU 100 Ca 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1su8 h LEU 100 Cb 0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1su8 h LEU 100 CO -0.09 0.82 0.28 0.00 0.09 0.00 0.00 178.44 179.53 1su8 h ALA 101 N 1.31 0.67 -0.48 1.53 0.00 -0.31 0.27 119.26 122.25 1su8 h ALA 101 Ca 0.21 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1su8 h ALA 101 Cb 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1su8 h ALA 101 CO -0.01 0.20 0.06 0.45 0.00 0.00 0.00 179.25 179.95 1su8 h HIS 102 N 0.70 0.78 -0.30 0.00 3.86 -0.96 -1.65 115.15 117.58 1su8 h HIS 102 Ca 0.18 -0.08 -0.07 0.00 -1.16 0.00 0.00 60.37 59.24 1su8 h HIS 102 Cb 0.06 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1su8 h HIS 102 CO -0.01 0.69 -0.08 1.15 0.86 0.00 0.00 177.93 180.53 1su8 h THR 103 N 0.71 1.28 -0.57 2.45 2.02 -0.60 -0.71 112.91 117.49 1su8 h THR 103 Ca 0.15 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.21 1su8 h THR 103 Cb 0.35 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1su8 h THR 103 CO 0.01 0.36 0.37 0.25 0.37 0.00 0.00 175.52 176.88 1su8 h LEU 104 N 0.35 0.64 -0.18 2.58 5.85 -0.79 -0.24 115.31 123.52 1su8 h LEU 104 Ca 0.07 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1su8 h LEU 104 Cb 0.58 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1su8 h LEU 104 CO 0.03 0.46 0.11 0.50 -0.34 0.00 0.00 178.44 179.20 1su8 h LYS 105 N 0.76 0.25 -0.86 1.25 3.64 -1.14 -1.66 116.57 118.80 1su8 h LYS 105 Ca 0.22 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 1su8 h LYS 105 Cb -0.06 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.65 1su8 h LYS 105 CO -0.06 0.22 0.55 0.87 -2.27 0.00 0.00 179.45 178.76 1su8 h LYS 106 N 0.21 1.04 -0.20 1.90 1.57 -0.88 -0.99 116.57 119.21 1su8 h LYS 106 Ca 0.06 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1su8 h LYS 106 Cb 0.04 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1su8 h LYS 106 CO -0.01 0.69 0.13 0.00 -0.57 0.00 0.00 179.45 179.68 1su8 h ALA 107 N 1.36 0.25 0.00 3.86 0.00 -0.51 0.88 119.26 125.11 1su8 h ALA 107 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1su8 h ALA 107 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1su8 h ALA 107 CO -0.12 -0.28 -0.21 1.33 0.00 0.00 0.00 179.25 179.97 1su8 n VAL 108 N -4.96 0.02 1.54 0.00 0.24 -0.67 -2.67 118.33 111.83 1su8 n VAL 108 Ca -0.03 -0.01 0.11 0.00 -2.04 0.00 0.00 64.34 62.37 1su8 n VAL 108 Cb 0.03 -0.19 0.49 0.00 -1.47 0.00 0.00 33.84 32.69 1su8 n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1su8 n GLN 109 N -1.53 1.45 -0.94 7.34 6.02 -0.41 -4.93 117.38 124.39 1su8 n GLN 109 Ca 0.06 -0.68 0.00 0.00 -0.01 0.00 0.00 57.00 56.37 1su8 n GLN 109 Cb 0.34 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.22 1su8 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1su8 n GLY 110 N 1.03 0.53 0.12 1.08 0.00 -1.09 -4.93 105.19 101.93 1su8 n GLY 110 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1su8 n GLY 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1su8 n LYS 111 N -2.94 0.46 -2.87 1.61 5.02 0.28 -4.64 118.16 115.08 1su8 n LYS 111 Ca 0.00 -0.24 -0.08 0.00 -2.02 0.00 0.00 58.31 55.96 1su8 n LYS 111 Cb 0.00 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.51 1su8 n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1su8 n ALA 112 N -1.06 -1.02 0.62 7.82 0.00 -1.19 -4.38 120.51 121.30 1su8 n ALA 112 Ca 0.10 -1.41 0.08 0.00 0.00 0.00 0.00 53.44 52.21 1su8 n ALA 112 Cb 0.33 -1.36 0.37 0.00 0.00 0.00 0.00 19.45 18.79 1su8 n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1su8 n ALA 113 N 2.88 1.80 1.06 0.00 0.00 -1.26 -1.66 120.51 123.33 1su8 n ALA 113 Ca 0.20 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.71 1su8 n ALA 113 Cb 0.55 -1.27 0.61 0.00 0.00 0.00 0.00 19.45 19.33 1su8 n ALA 113 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1su8 n SER 114 N -1.47 0.00 -4.48 0.00 7.64 -1.26 -4.79 113.62 109.27 1su8 n SER 114 Ca 0.05 0.23 -0.27 0.00 1.01 0.00 0.00 58.87 59.88 1su8 n SER 114 Cb 0.19 -0.40 -0.11 0.00 -1.01 0.00 0.00 64.21 62.87 1su8 n SER 114 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1su8 s TYR 115 N -2.81 2.45 0.23 1.43 1.51 -0.66 -5.06 117.35 114.44 1su8 s TYR 115 Ca 0.18 -0.30 -0.22 0.00 -1.01 0.00 0.00 57.07 55.72 1su8 s TYR 115 Cb 0.17 -1.23 0.04 0.00 -0.11 0.00 0.00 41.96 40.83 1su8 s TYR 115 CO 0.44 0.47 0.82 0.00 -1.11 0.00 0.00 175.55 176.18 1su8 s MET 116 N -2.58 1.57 -0.63 -0.62 0.23 -1.26 -4.85 119.30 111.16 1su8 s MET 116 Ca 0.21 -0.88 -0.28 0.00 -1.03 0.00 0.00 55.69 53.72 1su8 s MET 116 Cb -0.09 0.53 0.02 0.00 -1.53 0.00 0.00 34.83 33.76 1su8 s MET 116 CO 0.11 -0.72 1.34 0.42 -2.03 0.00 0.00 175.02 174.15 1su8 s ILE 117 N -3.58 3.79 -0.08 3.16 1.01 -1.26 -4.39 121.20 119.85 1su8 s ILE 117 Ca 0.12 0.60 -0.06 0.00 0.00 0.00 0.00 60.65 61.31 1su8 s ILE 117 Cb -0.04 -4.64 -0.27 0.00 0.01 0.00 0.00 42.46 37.51 1su8 s ILE 117 CO 0.05 -1.44 0.53 0.11 0.00 0.00 0.00 174.94 174.19 1su8 h LYS 118 N 10.60 0.28 -3.58 2.79 1.57 -1.07 -3.43 116.57 123.75 1su8 h LYS 118 Ca -0.27 -0.48 -0.71 0.00 -1.87 0.00 0.00 60.65 57.32 1su8 h LYS 118 Cb 1.07 0.18 -0.34 0.00 0.08 0.00 0.00 32.23 33.22 1su8 h LYS 118 CO 1.22 1.18 -0.30 0.34 -0.57 0.00 0.00 179.45 181.32 1su8 s ASP 119 N -7.04 5.42 0.23 0.86 -1.08 -0.48 -4.87 116.67 109.72 1su8 s ASP 119 Ca -0.18 -2.89 -0.04 0.00 -0.52 0.00 0.00 52.55 48.92 1su8 s ASP 119 Cb 0.06 -1.90 0.23 0.00 -1.46 0.00 0.00 42.92 39.86 1su8 s ASP 119 CO 0.81 -0.38 1.71 -0.09 0.52 0.00 0.00 175.17 177.74 1su8 h ARG 120 N 7.05 0.88 -0.41 4.34 2.43 -1.86 -1.56 114.38 125.26 1su8 h ARG 120 Ca 0.01 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1su8 h ARG 120 Cb 0.96 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1su8 h ARG 120 CO 0.72 0.89 0.25 1.15 -1.51 0.00 0.00 179.97 181.48 1su8 h THR 121 N 0.81 1.12 -0.43 0.20 2.02 -1.99 -0.83 112.91 113.82 1su8 h THR 121 Ca 0.15 -0.27 -0.11 0.00 0.77 0.00 0.00 66.41 66.95 1su8 h THR 121 Cb 0.51 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1su8 h THR 121 CO 0.03 0.12 -0.17 0.50 0.37 0.00 0.00 175.52 176.36 1su8 h LYS 122 N 0.54 0.83 -0.35 6.66 1.63 -1.90 -0.49 116.57 123.49 1su8 h LYS 122 Ca 0.15 -0.31 0.06 0.00 -0.85 0.00 0.00 60.65 59.69 1su8 h LYS 122 Cb -0.02 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.51 1su8 h LYS 122 CO -0.03 0.94 0.03 1.25 -3.45 0.00 0.00 179.45 178.19 1su8 h LEU 123 N 0.73 -0.07 -0.79 5.20 5.85 -0.82 0.01 115.31 125.41 1su8 h LEU 123 Ca 0.11 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 1su8 h LEU 123 Cb 0.69 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1su8 h LEU 123 CO 0.05 -0.00 -0.23 0.45 -0.34 0.00 0.00 178.44 178.37 1su8 h HIS 124 N 0.14 0.74 -0.48 1.25 3.86 -0.88 -0.35 115.15 119.43 1su8 h HIS 124 Ca 0.17 -0.16 -0.11 0.00 -1.16 0.00 0.00 60.37 59.11 1su8 h HIS 124 Cb 0.21 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1su8 h HIS 124 CO -0.22 0.83 -0.13 0.66 0.86 0.00 0.00 177.93 179.93 1su8 h SER 125 N 0.58 0.90 -0.31 2.45 4.64 -0.55 -0.30 113.55 120.97 1su8 h SER 125 Ca 0.08 -0.29 -0.04 0.00 -0.47 0.00 0.00 61.79 61.07 1su8 h SER 125 Cb 0.70 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1su8 h SER 125 CO 0.05 1.03 0.04 0.40 -0.87 0.00 0.00 176.83 177.48 1su8 h ILE 126 N 0.80 1.24 -0.30 0.95 2.04 -0.85 -0.05 117.51 121.34 1su8 h ILE 126 Ca 0.13 -0.84 0.06 0.00 1.00 0.00 0.00 64.86 65.21 1su8 h ILE 126 Cb 0.66 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 1su8 h ILE 126 CO 0.05 0.28 -0.09 0.00 0.00 0.00 0.00 178.15 178.39 1su8 h ALA 127 N 0.87 0.18 -0.75 1.87 0.00 -0.92 -0.07 119.26 120.44 1su8 h ALA 127 Ca 0.09 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1su8 h ALA 127 Cb 0.37 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1su8 h ALA 127 CO 0.01 -0.47 0.48 -0.22 0.00 0.00 0.00 179.25 179.04 1su8 h LYS 128 N -0.02 1.00 -0.14 0.00 3.64 -0.77 -0.10 116.57 120.19 1su8 h LYS 128 Ca 0.15 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 1su8 h LYS 128 Cb 0.24 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1su8 h LYS 128 CO -0.32 0.67 -0.38 -0.09 -2.27 0.00 0.00 179.45 177.07 1su8 h ARG 129 N 1.02 0.31 0.00 1.90 2.43 0.16 -2.63 114.38 117.57 1su8 h ARG 129 Ca 0.27 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1su8 h ARG 129 Cb -0.09 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1su8 h ARG 129 CO -0.06 0.64 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.85 1su8 h LEU 130 N 0.26 0.00 0.00 3.80 3.38 -0.35 -3.48 115.31 118.93 1su8 h LEU 130 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1su8 h LEU 130 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1su8 h LEU 130 CO 0.06 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1su8 n GLY 131 N 1.29 0.73 3.68 0.83 0.00 -0.46 -5.06 105.19 106.21 1su8 n GLY 131 Ca 0.05 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 1su8 n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1su8 s ILE 132 N -2.00 4.98 0.39 -0.61 1.01 -0.18 -5.00 121.20 119.79 1su8 s ILE 132 Ca 0.00 1.43 -0.27 0.00 0.00 0.00 0.00 60.65 61.81 1su8 s ILE 132 Cb 0.00 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 1su8 s ILE 132 CO 0.00 0.13 1.29 -2.84 0.00 0.00 0.00 174.94 173.53 1su8 s PRO 133 N 1.58 4.07 -0.02 2.79 0.02 -1.26 -4.12 135.00 138.06 1su8 s PRO 133 Ca 0.35 2.14 0.03 0.00 0.02 0.00 0.00 61.00 63.54 1su8 s PRO 133 Cb -0.17 -2.83 -0.04 0.00 0.02 0.00 0.00 34.50 31.48 1su8 s PRO 133 CO 0.14 -0.40 0.04 0.25 -0.33 0.00 0.00 177.00 176.69 1su8 n THR 134 N 0.29 0.12 -1.68 0.99 -2.24 -1.26 -4.88 114.28 105.62 1su8 n THR 134 Ca 0.03 -0.10 -0.45 0.00 -2.27 0.00 0.00 64.05 61.26 1su8 n THR 134 Cb 0.43 -0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 1su8 n THR 134 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1su8 n GLU 135 N -1.90 2.51 -0.94 -0.78 0.00 -1.26 -1.38 120.64 116.89 1su8 n GLU 135 Ca -0.03 0.91 0.00 0.00 0.00 0.00 0.00 57.16 58.04 1su8 n GLU 135 Cb 0.38 -2.78 0.00 0.00 0.00 0.00 0.00 31.44 29.04 1su8 n GLU 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1su8 n GLY 136 N 4.20 0.58 3.88 -1.84 0.00 -1.26 -5.00 105.19 105.74 1su8 n GLY 136 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1su8 n GLY 136 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1su8 s GLN 137 N -0.35 3.35 0.38 1.61 -1.52 -0.48 -5.09 119.66 117.56 1su8 s GLN 137 Ca 0.00 -0.36 -0.27 0.00 -1.95 0.00 0.00 55.36 52.78 1su8 s GLN 137 Cb 0.00 -3.04 -0.09 0.00 -0.22 0.00 0.00 33.01 29.65 1su8 s GLN 137 CO 0.00 0.67 1.32 0.15 -0.25 0.00 0.00 175.29 177.18 1su8 s LYS 138 N -1.88 4.12 0.35 2.91 1.02 -1.26 -4.90 119.74 120.10 1su8 s LYS 138 Ca 0.26 2.22 0.06 0.00 0.02 0.00 0.00 55.97 58.52 1su8 s LYS 138 Cb -0.12 -2.89 0.73 0.00 -0.52 0.00 0.00 37.83 35.03 1su8 s LYS 138 CO 0.17 -0.39 1.94 -0.44 -0.92 0.00 0.00 175.35 175.71 1su8 h ASP 139 N 2.95 0.69 0.09 2.83 3.32 -1.98 -1.12 116.42 123.20 1su8 h ASP 139 Ca -0.49 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 1su8 h ASP 139 Cb 1.24 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1su8 h ASP 139 CO 0.64 0.43 -0.26 -0.33 -1.72 0.00 0.00 179.24 178.00 1su8 h GLU 140 N 0.78 0.29 -0.09 3.56 3.07 -1.93 0.52 114.58 120.78 1su8 h GLU 140 Ca 0.34 -0.10 -0.22 0.00 -0.50 0.00 0.00 59.36 58.88 1su8 h GLU 140 Cb 0.32 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1su8 h GLU 140 CO -0.12 0.54 -0.80 -0.44 -1.40 0.00 0.00 179.01 176.78 1su8 h ASP 141 N 0.26 0.87 -0.37 1.42 3.32 -1.62 -0.04 116.42 120.26 1su8 h ASP 141 Ca 0.04 -0.67 0.02 0.00 0.02 0.00 0.00 57.03 56.44 1su8 h ASP 141 Cb 0.61 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1su8 h ASP 141 CO 0.04 1.41 0.21 0.40 -1.72 0.00 0.00 179.24 179.58 1su8 h ILE 142 N 0.40 1.02 -0.56 0.35 2.04 -1.03 -1.23 117.51 118.50 1su8 h ILE 142 Ca -0.07 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 1su8 h ILE 142 Cb 1.45 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1su8 h ILE 142 CO 0.16 0.08 0.12 0.00 0.00 0.00 0.00 178.15 178.51 1su8 h ALA 143 N 1.17 1.16 -0.93 1.87 0.00 -0.80 0.21 119.26 121.94 1su8 h ALA 143 Ca 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1su8 h ALA 143 Cb 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1su8 h ALA 143 CO -0.08 0.57 0.54 1.25 0.00 0.00 0.00 179.25 181.53 1su8 h LEU 144 N 0.84 1.13 -0.63 0.00 5.85 -0.64 0.19 115.31 122.04 1su8 h LEU 144 Ca 0.18 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 1su8 h LEU 144 Cb 0.33 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1su8 h LEU 144 CO 0.00 0.88 -0.37 -0.33 -0.34 0.00 0.00 178.44 178.28 1su8 h GLU 145 N 1.28 0.67 -0.50 1.25 4.39 -0.39 -0.01 114.58 121.27 1su8 h GLU 145 Ca 0.33 -0.33 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1su8 h GLU 145 Cb -0.03 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1su8 h GLU 145 CO -0.06 0.93 0.04 0.28 -1.16 0.00 0.00 179.01 179.04 1su8 h VAL 146 N 0.56 1.26 -0.59 3.13 2.07 -0.55 0.09 116.25 122.21 1su8 h VAL 146 Ca 0.05 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.48 1su8 h VAL 146 Cb 0.88 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1su8 h VAL 146 CO 0.08 0.36 0.03 0.00 0.02 0.00 0.00 177.57 178.05 1su8 h ALA 147 N 0.95 0.94 -0.77 1.67 0.00 -0.78 -0.02 119.26 121.25 1su8 h ALA 147 Ca 0.15 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1su8 h ALA 147 Cb 0.46 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1su8 h ALA 147 CO 0.02 0.64 0.33 0.87 0.00 0.00 0.00 179.25 181.11 1su8 h LYS 148 N 0.92 1.14 -0.42 0.00 1.57 -0.83 -1.07 116.57 117.88 1su8 h LYS 148 Ca 0.17 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1su8 h LYS 148 Cb 0.50 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1su8 h LYS 148 CO 0.02 0.91 -0.14 0.00 -0.57 0.00 0.00 179.45 179.68 1su8 h ALA 149 N 1.17 0.97 0.15 3.86 0.00 -0.38 -0.16 119.26 124.86 1su8 h ALA 149 Ca 0.26 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1su8 h ALA 149 Cb 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1su8 h ALA 149 CO -0.02 0.61 -0.07 0.00 0.00 0.00 0.00 179.25 179.76 1su8 h ALA 150 N 1.15 -0.20 -0.19 0.00 0.00 -0.66 -2.23 119.26 117.13 1su8 h ALA 150 Ca 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1su8 h ALA 150 Cb 0.62 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1su8 h ALA 150 CO 0.04 -0.60 -0.12 -0.07 0.00 0.00 0.00 179.25 178.50 1su8 h LEU 151 N -0.22 0.29 -1.47 0.00 3.38 -0.97 -2.51 115.31 113.81 1su8 h LEU 151 Ca -0.02 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1su8 h LEU 151 Cb 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1su8 h LEU 151 CO 0.03 0.45 -0.26 0.00 0.09 0.00 0.00 178.44 178.74 1su8 h ALA 152 N 1.59 1.36 0.00 1.53 0.00 -0.58 -2.36 119.26 120.79 1su8 h ALA 152 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1su8 h ALA 152 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1su8 h ALA 152 CO 0.02 0.33 0.00 -0.25 0.00 0.00 0.00 179.25 179.35 1su8 n ASP 153 N -3.92 0.00 0.12 0.00 9.92 -0.88 -2.33 116.55 119.46 1su8 n ASP 153 Ca -0.02 0.38 0.13 0.00 -0.53 0.00 0.00 54.79 54.75 1su8 n ASP 153 Cb 0.34 -0.44 0.38 0.00 -0.64 0.00 0.00 41.12 40.77 1su8 n ASP 153 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1su8 h PHE 154 N 0.00 0.00 -3.42 1.24 0.04 -1.54 0.76 116.94 114.02 1su8 h PHE 154 Ca 0.00 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.40 1su8 h PHE 154 Cb 0.20 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.21 1su8 h PHE 154 CO 0.00 0.00 -0.64 -3.38 -0.60 0.00 0.00 178.31 173.69 1su8 s HIS 155 N -3.12 1.56 0.59 -0.55 -3.43 -0.98 -0.92 115.29 108.44 1su8 s HIS 155 Ca 0.10 -1.00 -0.19 0.00 -0.80 0.00 0.00 55.06 53.17 1su8 s HIS 155 Cb 0.11 -0.92 -0.03 0.00 -1.43 0.00 0.00 32.58 30.31 1su8 s HIS 155 CO 0.60 -0.13 1.23 -1.21 -2.00 0.00 0.00 174.74 173.23 1su8 s GLU 156 N -3.91 2.94 0.00 -0.38 2.02 -1.26 -4.43 118.70 113.68 1su8 s GLU 156 Ca 0.31 1.89 0.00 0.00 0.02 0.00 0.00 54.97 57.19 1su8 s GLU 156 Cb 0.07 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.35 1su8 s GLU 156 CO 0.10 -1.25 0.00 0.36 0.02 0.00 0.00 175.26 174.49 1su8 n LYS 157 N -1.57 0.00 0.00 1.61 2.85 -1.26 -5.03 118.16 114.75 1su8 n LYS 157 Ca 0.14 0.00 0.15 0.00 -1.05 0.00 0.00 58.31 57.54 1su8 n LYS 157 Cb 0.49 0.00 0.70 0.00 -0.65 0.00 0.00 35.03 35.57 1su8 n LYS 157 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1su8 n ASP 158 N -0.44 0.61 -4.35 -5.58 8.00 -1.26 -4.73 116.55 108.79 1su8 n ASP 158 Ca 0.00 -0.98 -0.21 0.00 0.71 0.00 0.00 54.79 54.31 1su8 n ASP 158 Cb 0.00 -0.03 -0.11 0.00 -0.02 0.00 0.00 41.12 40.96 1su8 n ASP 158 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1su8 s THR 159 N -2.18 1.87 0.70 -3.53 -4.23 -1.26 -5.16 115.64 101.85 1su8 s THR 159 Ca 0.38 -2.06 -0.12 0.00 -1.18 0.00 0.00 61.69 58.71 1su8 s THR 159 Cb 0.21 -1.96 0.17 0.00 1.34 0.00 0.00 72.50 72.26 1su8 s THR 159 CO 0.40 -0.40 0.72 -0.81 -0.54 0.00 0.00 174.62 173.99 1su8 n PRO 160 N -0.00 -1.77 -1.91 3.99 -0.04 -1.26 -4.90 135.00 129.10 1su8 n PRO 160 Ca -0.11 -1.14 -0.43 0.00 -0.04 0.00 0.00 63.50 61.79 1su8 n PRO 160 Cb 0.58 -0.94 -0.03 0.00 -0.04 0.00 0.00 33.50 33.07 1su8 n PRO 160 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1su8 s VAL 161 N -2.42 3.39 0.16 0.52 1.01 -0.80 -4.85 120.40 117.42 1su8 s VAL 161 Ca 0.44 0.43 0.16 0.00 0.00 0.00 0.00 61.98 63.01 1su8 s VAL 161 Cb -0.03 -3.44 0.07 0.00 0.00 0.00 0.00 36.38 32.98 1su8 s VAL 161 CO 0.33 -0.22 1.66 -0.07 0.00 0.00 0.00 175.10 176.80 1su8 h LEU 162 N 12.81 0.00 0.00 3.92 3.38 -1.92 -1.11 115.31 132.39 1su8 h LEU 162 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1su8 h LEU 162 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1su8 h LEU 162 CO 0.99 0.47 0.00 0.79 0.09 0.00 0.00 178.44 180.78 1su8 n TRP 163 N -3.56 0.00 -0.06 1.13 8.01 -1.26 -1.03 117.44 120.67 1su8 n TRP 163 Ca -0.00 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.08 1su8 n TRP 163 Cb 0.57 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.84 1su8 n TRP 163 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1su8 n VAL 164 N -0.54 1.29 0.25 -0.99 0.31 -0.63 -4.22 118.33 113.80 1su8 n VAL 164 Ca 0.02 0.07 0.15 0.00 -0.01 0.00 0.00 64.34 64.56 1su8 n VAL 164 Cb 0.01 -1.99 0.51 0.00 -0.91 0.00 0.00 33.84 31.46 1su8 n VAL 164 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1su8 h THR 165 N -0.67 0.11 -0.01 2.52 1.35 -1.10 -2.53 112.91 112.56 1su8 h THR 165 Ca -0.15 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1su8 h THR 165 Cb 0.91 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1su8 h THR 165 CO -0.09 0.05 -0.24 0.35 -0.25 0.00 0.00 175.52 175.33 1su8 n THR 166 N -3.14 0.00 0.38 6.82 -2.24 -0.19 -4.38 114.28 111.52 1su8 n THR 166 Ca 0.01 -0.24 0.04 0.00 -2.27 0.00 0.00 64.05 61.59 1su8 n THR 166 Cb 0.39 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 1su8 n THR 166 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1su8 n VAL 167 N -0.02 0.00 -4.19 2.28 0.24 -0.97 -4.95 118.33 110.71 1su8 n VAL 167 Ca 0.13 -0.35 -0.28 0.00 -2.04 0.00 0.00 64.34 61.80 1su8 n VAL 167 Cb 0.42 1.04 -0.08 0.00 -1.47 0.00 0.00 33.84 33.75 1su8 n VAL 167 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1su8 s LEU 168 N -2.03 3.29 0.62 1.34 1.43 -1.16 -4.84 118.68 117.33 1su8 s LEU 168 Ca 0.05 -0.35 -0.18 0.00 -1.03 0.00 0.00 54.13 52.62 1su8 s LEU 168 Cb 0.06 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 1su8 s LEU 168 CO 0.28 0.12 1.19 -2.84 0.23 0.00 0.00 176.35 175.34 1su8 s PRO 169 N -2.67 2.82 0.31 1.29 0.02 -1.26 -4.72 135.00 130.80 1su8 s PRO 169 Ca 0.26 1.75 0.08 0.00 0.02 0.00 0.00 61.00 63.12 1su8 s PRO 169 Cb -0.10 -1.92 0.84 0.00 0.02 0.00 0.00 34.50 33.34 1su8 s PRO 169 CO 0.18 -1.31 1.74 -1.35 -0.33 0.00 0.00 177.00 175.93 1su8 h PRO 170 N 0.59 0.62 -0.40 5.54 0.11 -1.99 -0.96 132.00 135.52 1su8 h PRO 170 Ca -0.49 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 1su8 h PRO 170 Cb 1.29 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1su8 h PRO 170 CO 0.54 0.41 -0.04 0.66 -0.21 0.00 0.00 178.00 179.36 1su8 h SER 171 N 0.64 0.62 -0.25 -2.05 4.64 -1.99 0.47 113.55 115.64 1su8 h SER 171 Ca 0.63 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.69 1su8 h SER 171 Cb 1.13 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1su8 h SER 171 CO -0.45 0.72 -0.27 -0.09 -0.87 0.00 0.00 176.83 175.88 1su8 h ARG 172 N 0.61 0.63 -0.86 4.77 9.65 -1.58 -2.23 114.38 125.37 1su8 h ARG 172 Ca 0.12 -0.34 0.06 0.00 -1.10 0.00 0.00 59.98 58.73 1su8 h ARG 172 Cb 0.44 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.98 1su8 h ARG 172 CO 0.02 0.94 0.56 0.28 2.80 0.00 0.00 179.97 184.57 1su8 h VAL 173 N 0.35 1.06 -0.39 0.20 2.07 -0.78 -1.24 116.25 117.52 1su8 h VAL 173 Ca 0.04 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1su8 h VAL 173 Cb 0.83 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1su8 h VAL 173 CO 0.07 0.18 -0.03 0.50 0.02 0.00 0.00 177.57 178.30 1su8 h LYS 174 N 0.96 0.71 -0.47 1.57 3.64 -0.72 0.23 116.57 122.49 1su8 h LYS 174 Ca 0.37 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1su8 h LYS 174 Cb 0.21 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1su8 h LYS 174 CO -0.13 0.82 0.24 0.28 -2.27 0.00 0.00 179.45 178.39 1su8 h VAL 175 N 0.52 0.98 -0.30 2.00 2.07 -0.87 -0.98 116.25 119.68 1su8 h VAL 175 Ca 0.11 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 1su8 h VAL 175 Cb 0.52 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1su8 h VAL 175 CO 0.03 0.09 -0.14 -0.07 0.02 0.00 0.00 177.57 177.50 1su8 h LEU 176 N 0.49 0.63 -1.18 2.57 3.38 -0.90 -2.97 115.31 117.33 1su8 h LEU 176 Ca 0.20 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1su8 h LEU 176 Cb 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1su8 h LEU 176 CO -0.13 0.90 0.24 0.28 0.09 0.00 0.00 178.44 179.82 1su8 h SER 177 N 0.37 0.74 0.10 -0.43 0.02 -0.36 -0.23 113.55 113.76 1su8 h SER 177 Ca 0.07 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1su8 h SER 177 Cb 0.66 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1su8 h SER 177 CO 0.04 0.66 -0.09 0.00 -1.14 0.00 0.00 176.83 176.30 1su8 h ALA 178 N 1.46 1.80 -0.44 3.77 0.00 -1.02 -0.75 119.26 124.08 1su8 h ALA 178 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1su8 h ALA 178 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1su8 h ALA 178 CO -0.02 0.11 0.00 0.72 0.00 0.00 0.00 179.25 180.06 1su8 n HIS 179 N -4.37 0.57 -2.02 0.00 -0.00 -0.76 -4.95 115.22 103.69 1su8 n HIS 179 Ca -0.03 -0.29 -0.09 0.00 -0.00 0.00 0.00 57.72 57.32 1su8 n HIS 179 Cb 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.15 1su8 n HIS 179 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1su8 n GLY 180 N 1.45 0.17 0.53 -1.41 0.00 -0.29 -4.93 105.19 100.71 1su8 n GLY 180 Ca 0.19 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.79 1su8 n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1su8 n LEU 181 N -1.21 1.96 -4.69 0.99 4.77 -0.17 -4.90 117.00 113.75 1su8 n LEU 181 Ca -0.10 -0.68 -0.42 0.00 -0.03 0.00 0.00 56.01 54.78 1su8 n LEU 181 Cb 0.53 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1su8 n LEU 181 CO 0.12 0.35 0.92 -0.63 -1.33 0.00 0.00 177.39 176.83 1su8 s ILE 182 N -2.35 4.35 0.46 -0.08 -1.09 -1.26 -4.31 121.20 116.92 1su8 s ILE 182 Ca 0.23 1.66 -0.24 0.00 -2.23 0.00 0.00 60.65 60.07 1su8 s ILE 182 Cb 0.19 -4.07 -0.07 0.00 -1.58 0.00 0.00 42.46 36.93 1su8 s ILE 182 CO 0.49 0.00 1.29 -2.84 -1.23 0.00 0.00 174.94 172.65 1su8 s PRO 183 N 2.16 3.70 0.04 2.79 0.02 -1.26 -4.93 135.00 137.51 1su8 s PRO 183 Ca 0.55 2.11 0.12 0.00 0.02 0.00 0.00 61.00 63.79 1su8 s PRO 183 Cb -0.24 -2.55 -0.19 0.00 0.02 0.00 0.00 34.50 31.54 1su8 s PRO 183 CO 0.21 -0.70 0.92 0.00 -0.33 0.00 0.00 177.00 177.11 1su8 h ALA 184 N 2.21 0.62 -1.52 -1.55 0.00 -1.94 -2.13 119.26 114.96 1su8 h ALA 184 Ca -0.50 -1.15 0.09 0.00 0.00 0.00 0.00 54.91 53.35 1su8 h ALA 184 Cb 1.26 0.23 -0.25 0.00 0.00 0.00 0.00 17.79 19.03 1su8 h ALA 184 CO 0.61 1.33 0.55 0.20 0.00 0.00 0.00 179.25 181.94 1su8 s GLY 185 N -4.90 -0.16 0.01 0.00 0.00 -1.26 -4.10 107.32 96.91 1su8 s GLY 185 Ca -0.02 2.44 -0.25 0.00 0.00 0.00 0.00 44.72 46.89 1su8 s GLY 185 CO 0.82 1.43 1.27 -2.22 0.00 0.00 0.00 173.10 174.40 1su8 h ILE 186 N 3.00 0.80 0.00 0.90 2.04 -0.66 -1.09 117.51 122.51 1su8 h ILE 186 Ca -0.23 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 64.91 1su8 h ILE 186 Cb 1.17 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1su8 h ILE 186 CO 0.21 0.13 -0.48 0.44 0.00 0.00 0.00 178.15 178.46 1su8 h ASP 187 N -0.67 0.00 -0.39 1.72 3.32 -1.29 -2.41 116.42 116.69 1su8 h ASP 187 Ca -0.03 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.05 1su8 h ASP 187 Cb 0.47 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 1su8 h ASP 187 CO 0.06 0.48 0.18 -0.74 -1.72 0.00 0.00 179.24 177.49 1su8 h HIS 188 N 0.00 0.33 -0.51 4.55 -0.00 -1.40 -0.69 115.15 117.43 1su8 h HIS 188 Ca -0.00 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.26 1su8 h HIS 188 Cb 0.98 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.28 1su8 h HIS 188 CO 0.00 0.16 -0.18 0.93 -0.00 0.00 0.00 177.93 178.85 1su8 h GLU 189 N 0.37 1.02 -0.32 5.26 4.39 -0.89 0.02 114.58 124.43 1su8 h GLU 189 Ca 0.17 -0.41 0.01 0.00 0.34 0.00 0.00 59.36 59.46 1su8 h GLU 189 Cb 0.10 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1su8 h GLU 189 CO -0.13 1.10 0.20 0.82 -1.16 0.00 0.00 179.01 179.84 1su8 h ILE 190 N 0.89 1.06 -0.57 3.13 2.04 -1.18 0.12 117.51 122.99 1su8 h ILE 190 Ca 0.12 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 1su8 h ILE 190 Cb 0.76 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1su8 h ILE 190 CO 0.06 0.08 0.01 0.00 0.00 0.00 0.00 178.15 178.30 1su8 h ALA 191 N 1.13 0.93 -0.44 1.87 0.00 -0.98 -2.07 119.26 119.70 1su8 h ALA 191 Ca 0.12 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1su8 h ALA 191 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1su8 h ALA 191 CO -0.04 0.64 0.07 1.49 0.00 0.00 0.00 179.25 181.41 1su8 h GLU 192 N 0.91 0.67 -0.20 0.00 4.81 -0.48 -0.08 114.58 120.22 1su8 h GLU 192 Ca 0.17 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1su8 h GLU 192 Cb 0.52 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1su8 h GLU 192 CO 0.03 0.64 0.10 0.82 -0.73 0.00 0.00 179.01 179.87 1su8 h ILE 193 N 0.65 1.11 -0.66 2.32 1.08 -0.64 0.77 117.51 122.14 1su8 h ILE 193 Ca 0.14 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.27 1su8 h ILE 193 Cb 0.30 0.96 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 1su8 h ILE 193 CO 0.00 0.11 0.28 0.24 -0.69 0.00 0.00 178.15 178.09 1su8 h MET 194 N 0.21 0.96 0.71 2.37 2.86 -0.80 -1.46 114.93 119.79 1su8 h MET 194 Ca 0.07 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1su8 h MET 194 Cb 0.08 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 31.58 1su8 h MET 194 CO -0.01 0.77 -0.34 1.25 1.06 0.00 0.00 176.91 179.64 1su8 h HIS 195 N 0.95 -0.89 0.00 -0.22 -0.00 -0.84 -2.91 115.15 111.24 1su8 h HIS 195 Ca 0.23 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.55 1su8 h HIS 195 Cb 0.16 0.29 -0.00 0.00 -0.00 0.00 0.00 27.41 27.86 1su8 h HIS 195 CO 0.01 -0.53 -0.13 0.07 -0.00 0.00 0.00 177.93 177.35 1su8 h ARG 196 N -1.08 0.00 -0.01 5.26 0.11 -0.57 -1.38 114.38 116.72 1su8 h ARG 196 Ca -0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.98 1su8 h ARG 196 Cb 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 1su8 h ARG 196 CO 0.16 0.13 -0.22 0.25 0.10 0.00 0.00 179.97 180.39 1su8 n THR 197 N -3.52 0.00 -1.41 0.08 -2.24 -0.57 -1.03 114.28 105.59 1su8 n THR 197 Ca -0.01 -0.16 -0.29 0.00 -2.27 0.00 0.00 64.05 61.32 1su8 n THR 197 Cb 0.28 0.47 0.13 0.00 -2.10 0.00 0.00 70.33 69.11 1su8 n THR 197 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1su8 s SER 198 N -2.41 3.55 0.35 3.42 1.04 -0.52 -4.93 113.70 114.20 1su8 s SER 198 Ca 0.26 1.18 -0.29 0.00 0.48 0.00 0.00 55.95 57.59 1su8 s SER 198 Cb 0.19 -1.83 -0.11 0.00 0.10 0.00 0.00 66.02 64.37 1su8 s SER 198 CO 0.49 -2.55 1.52 0.80 0.98 0.00 0.00 173.24 174.48 1su8 n MET 199 N -3.79 2.69 -1.40 4.02 1.56 -1.26 -2.81 117.12 116.13 1su8 n MET 199 Ca 0.06 0.95 -0.07 0.00 -0.27 0.00 0.00 57.70 58.37 1su8 n MET 199 Cb 0.57 -2.69 -0.03 0.00 2.15 0.00 0.00 33.22 33.22 1su8 n MET 199 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1su8 n GLY 200 N 0.97 0.77 0.00 -5.12 0.00 -1.26 -4.98 105.19 95.57 1su8 n GLY 200 Ca 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1su8 n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su8 s ASP 202 N 0.28 6.84 -0.33 0.00 2.15 -0.20 -4.91 116.67 120.50 1su8 s ASP 202 Ca 0.00 2.46 0.16 0.00 0.43 0.00 0.00 52.55 55.60 1su8 s ASP 202 Cb 0.00 -2.61 0.45 0.00 -0.30 0.00 0.00 42.92 40.45 1su8 s ASP 202 CO 0.00 -0.56 1.18 0.00 -0.17 0.00 0.00 175.17 175.62 1su8 n ALA 203 N 2.51 2.60 -3.70 3.66 0.00 -1.26 -4.82 120.51 119.49 1su8 n ALA 203 Ca 0.06 -2.24 -0.22 0.00 0.00 0.00 0.00 53.44 51.04 1su8 n ALA 203 Cb 0.42 -0.92 -0.18 0.00 0.00 0.00 0.00 19.45 18.77 1su8 n ALA 203 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1su8 s ASP 204 N -2.48 1.45 0.17 0.00 2.15 -1.26 -4.96 116.67 111.73 1su8 s ASP 204 Ca 0.23 -0.06 -0.15 0.00 0.43 0.00 0.00 52.55 53.00 1su8 s ASP 204 Cb 0.41 -0.27 0.08 0.00 -0.30 0.00 0.00 42.92 42.84 1su8 s ASP 204 CO -0.04 -0.24 1.80 0.00 -0.17 0.00 0.00 175.17 176.52 1su8 h ALA 205 N 8.39 0.57 -0.56 3.66 0.00 -1.95 0.34 119.26 129.71 1su8 h ALA 205 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1su8 h ALA 205 Cb 1.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1su8 h ALA 205 CO 0.21 -0.08 0.13 0.37 0.00 0.00 0.00 179.25 179.87 1su8 h GLN 206 N 0.50 0.90 -0.45 0.00 5.75 -1.97 0.54 115.11 120.39 1su8 h GLN 206 Ca 0.19 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1su8 h GLN 206 Cb 0.05 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 1su8 h GLN 206 CO -0.11 0.85 0.24 -0.97 -2.65 0.00 0.00 178.83 176.19 1su8 h ASN 207 N 0.80 0.56 -0.52 -0.69 -1.24 -1.88 -0.43 115.58 112.18 1su8 h ASN 207 Ca 0.17 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.09 1su8 h ASN 207 Cb 0.36 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.24 1su8 h ASN 207 CO 0.00 0.50 0.33 -0.07 -1.29 0.00 0.00 177.43 176.90 1su8 h LEU 208 N 0.59 0.62 -0.66 0.34 3.38 -0.64 -2.19 115.31 116.75 1su8 h LEU 208 Ca 0.16 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1su8 h LEU 208 Cb 0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1su8 h LEU 208 CO -0.02 0.48 -0.66 -0.07 0.09 0.00 0.00 178.44 178.25 1su8 h LEU 209 N 0.70 0.06 -0.75 1.67 3.38 -0.48 -1.04 115.31 118.85 1su8 h LEU 209 Ca 0.19 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1su8 h LEU 209 Cb -0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1su8 h LEU 209 CO -0.04 0.70 0.40 -0.07 0.09 0.00 0.00 178.44 179.53 1su8 h LEU 210 N 0.03 0.94 -0.95 1.67 3.38 -0.92 0.49 115.31 119.96 1su8 h LEU 210 Ca -0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1su8 h LEU 210 Cb 1.18 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1su8 h LEU 210 CO 0.09 0.77 0.46 1.23 0.09 0.00 0.00 178.44 181.09 1su8 h GLY 211 N 1.04 1.29 0.88 0.83 0.00 -0.81 -1.78 103.07 104.52 1su8 h GLY 211 Ca 0.26 -0.59 0.03 0.00 0.00 0.00 0.00 47.33 47.03 1su8 h GLY 211 CO -0.04 0.57 0.40 -1.33 0.00 0.00 0.00 176.54 176.13 1su8 h GLY 212 N 1.22 0.91 1.00 4.60 0.00 -0.32 -0.40 103.07 110.08 1su8 h GLY 212 Ca 0.30 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1su8 h GLY 212 CO -0.05 0.26 0.39 1.41 0.00 0.00 0.00 176.54 178.55 1su8 h LEU 213 N 0.78 0.82 -0.59 3.11 3.38 -0.49 0.74 115.31 123.06 1su8 h LEU 213 Ca 0.25 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1su8 h LEU 213 Cb 0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1su8 h LEU 213 CO -0.10 0.66 0.20 -0.09 0.09 0.00 0.00 178.44 179.20 1su8 h ARG 214 N 0.91 0.90 0.00 1.13 2.43 -0.94 -2.00 114.38 116.81 1su8 h ARG 214 Ca 0.24 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1su8 h ARG 214 Cb 0.00 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1su8 h ARG 214 CO -0.04 0.80 -0.34 0.00 -1.51 0.00 0.00 179.97 178.88 1su8 h SER 216 N 0.00 0.33 0.74 0.00 4.64 -0.16 -1.15 113.55 117.96 1su8 h SER 216 Ca -0.00 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.14 1su8 h SER 216 Cb 0.64 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1su8 h SER 216 CO 0.04 0.53 -0.43 -0.07 -0.87 0.00 0.00 176.83 176.03 1su8 h LEU 217 N 0.31 0.00 -0.90 5.97 3.38 -0.76 -0.54 115.31 122.77 1su8 h LEU 217 Ca 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1su8 h LEU 217 Cb 0.51 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1su8 h LEU 217 CO 0.03 0.43 0.34 0.00 0.09 0.00 0.00 178.44 179.34 1su8 h ALA 218 N 1.57 1.13 -0.59 1.53 0.00 -0.81 0.05 119.26 122.14 1su8 h ALA 218 Ca -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1su8 h ALA 218 Cb 0.92 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1su8 h ALA 218 CO 0.06 0.64 0.22 0.22 0.00 0.00 0.00 179.25 180.39 1su8 h ASP 219 N 1.12 0.82 -0.58 0.00 1.82 -0.55 -1.70 116.42 117.35 1su8 h ASP 219 Ca 0.26 -0.18 0.03 0.00 -0.39 0.00 0.00 57.03 56.75 1su8 h ASP 219 Cb 0.16 -0.21 -0.04 0.00 0.68 0.00 0.00 39.33 39.92 1su8 h ASP 219 CO -0.03 0.78 0.35 0.25 -1.61 0.00 0.00 179.24 178.98 1su8 h LEU 220 N 0.82 0.56 -0.77 2.28 5.85 -0.79 0.38 115.31 123.65 1su8 h LEU 220 Ca 0.19 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1su8 h LEU 220 Cb 0.22 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1su8 h LEU 220 CO -0.01 0.39 0.50 0.00 -0.34 0.00 0.00 178.44 178.98 1su8 h ALA 221 N 1.26 1.00 -0.63 1.25 0.00 -0.77 0.65 119.26 122.03 1su8 h ALA 221 Ca 0.23 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1su8 h ALA 221 Cb 0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1su8 h ALA 221 CO -0.10 0.32 0.25 0.78 0.00 0.00 0.00 179.25 180.50 1su8 h GLY 222 N 0.98 1.01 0.92 0.00 0.00 -0.42 0.74 103.07 106.29 1su8 h GLY 222 Ca 0.30 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1su8 h GLY 222 CO -0.10 0.51 0.12 0.00 0.00 0.00 0.00 176.54 177.08 1su8 h TYR 224 N 0.32 1.02 -0.75 0.00 5.03 -0.67 -0.51 116.97 121.41 1su8 h TYR 224 Ca 0.10 -0.21 -0.04 0.00 2.58 0.00 0.00 58.73 61.16 1su8 h TYR 224 Cb 0.16 -0.25 -0.03 0.00 1.55 0.00 0.00 36.73 38.16 1su8 h TYR 224 CO -0.01 0.98 0.33 1.98 -1.32 0.00 0.00 178.16 180.12 1su8 h MET 225 N 0.81 1.11 -0.48 1.82 4.05 -0.78 -0.51 114.93 120.94 1su8 h MET 225 Ca 0.12 -0.19 -0.13 0.00 -0.28 0.00 0.00 59.70 59.23 1su8 h MET 225 Cb 0.68 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 1su8 h MET 225 CO 0.05 0.89 -0.19 0.78 0.23 0.00 0.00 176.91 178.67 1su8 h GLY 226 N 1.07 1.07 0.98 1.39 0.00 -0.37 -0.25 103.07 106.95 1su8 h GLY 226 Ca 0.25 -0.93 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1su8 h GLY 226 CO -0.03 0.85 0.26 -0.84 0.00 0.00 0.00 176.54 176.78 1su8 h THR 227 N 0.84 1.18 -0.16 4.70 2.02 -0.93 -0.65 112.91 119.90 1su8 h THR 227 Ca 0.11 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.83 1su8 h THR 227 Cb 0.76 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1su8 h THR 227 CO 0.06 0.19 0.08 0.44 0.37 0.00 0.00 175.52 176.66 1su8 h ASP 228 N 0.66 0.11 -0.28 4.18 3.32 -0.84 0.20 116.42 123.77 1su8 h ASP 228 Ca 0.17 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.09 1su8 h ASP 228 Cb 0.07 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1su8 h ASP 228 CO -0.03 0.09 -0.40 -0.07 -1.72 0.00 0.00 179.24 177.11 1su8 h LEU 229 N 0.17 0.83 -1.26 1.55 3.38 -0.96 -1.38 115.31 117.63 1su8 h LEU 229 Ca 0.07 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 1su8 h LEU 229 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1su8 h LEU 229 CO -0.05 1.18 0.00 0.00 0.09 0.00 0.00 178.44 179.66 1su8 h ALA 230 N 0.68 1.40 -0.43 1.53 0.00 -1.02 -1.21 119.26 120.21 1su8 h ALA 230 Ca 0.03 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1su8 h ALA 230 Cb 0.99 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1su8 h ALA 230 CO 0.09 0.42 -0.03 -0.44 0.00 0.00 0.00 179.25 179.29 1su8 h ASP 231 N 0.48 0.78 -0.17 0.00 3.32 -0.69 0.22 116.42 120.36 1su8 h ASP 231 Ca 0.11 -0.33 0.04 0.00 0.02 0.00 0.00 57.03 56.87 1su8 h ASP 231 Cb 0.31 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1su8 h ASP 231 CO 0.01 0.92 -0.07 0.40 -1.72 0.00 0.00 179.24 178.77 1su8 h ILE 232 N 0.62 0.76 -0.04 0.35 2.04 -0.88 0.11 117.51 120.47 1su8 h ILE 232 Ca 0.12 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.78 1su8 h ILE 232 Cb 0.54 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1su8 h ILE 232 CO 0.03 0.00 -0.83 -0.07 0.00 0.00 0.00 178.15 177.28 1su8 h LEU 233 N -0.05 0.49 -0.34 1.44 3.38 -1.08 0.65 115.31 119.80 1su8 h LEU 233 Ca 0.09 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1su8 h LEU 233 Cb 0.18 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1su8 h LEU 233 CO -0.20 1.13 0.00 0.49 0.09 0.00 0.00 178.44 179.95 1su8 n PHE 234 N -3.78 0.00 0.00 1.13 3.72 0.76 -4.06 117.46 115.23 1su8 n PHE 234 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1su8 n PHE 234 Cb 0.77 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 1su8 n PHE 234 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1su8 n GLY 235 N 0.55 2.43 3.72 1.37 0.00 0.38 -4.99 105.19 108.65 1su8 n GLY 235 Ca 0.00 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1su8 n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1su8 s THR 236 N -0.89 3.58 0.59 2.61 2.01 -1.24 -4.55 115.64 117.75 1su8 s THR 236 Ca 0.00 1.20 -0.20 0.00 0.31 0.00 0.00 61.69 63.00 1su8 s THR 236 Cb 0.00 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 1su8 s THR 236 CO 0.00 0.13 1.32 -2.84 -0.69 0.00 0.00 174.62 172.54 1su8 s PRO 237 N 0.58 2.88 0.26 4.92 0.02 -1.26 -5.03 135.00 137.36 1su8 s PRO 237 Ca 0.59 2.14 0.03 0.00 0.02 0.00 0.00 61.00 63.78 1su8 s PRO 237 Cb -0.33 -2.06 -0.05 0.00 0.02 0.00 0.00 34.50 32.07 1su8 s PRO 237 CO 0.33 -1.36 0.03 0.00 -0.33 0.00 0.00 177.00 175.66 1su8 s ALA 238 N -1.36 1.95 0.34 -1.55 0.00 -1.20 -4.24 121.76 115.70 1su8 s ALA 238 Ca 0.77 -1.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.58 1su8 s ALA 238 Cb -0.39 0.62 -0.11 0.00 0.00 0.00 0.00 23.12 23.24 1su8 s ALA 238 CO 0.43 -0.30 1.53 -2.30 0.00 0.00 0.00 175.76 175.13 1su8 n PRO 239 N -0.50 2.68 -4.12 0.00 -0.02 -1.18 -4.35 135.00 127.50 1su8 n PRO 239 Ca -0.03 0.94 -0.10 0.00 -2.02 0.00 0.00 63.50 62.29 1su8 n PRO 239 Cb 0.65 -2.69 -0.10 0.00 -0.02 0.00 0.00 33.50 31.33 1su8 n PRO 239 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1su8 s VAL 240 N -0.67 0.50 -0.08 -1.45 -7.23 -0.20 -4.94 120.40 106.33 1su8 s VAL 240 Ca 0.58 -1.73 0.04 0.00 -1.81 0.00 0.00 61.98 59.06 1su8 s VAL 240 Cb -0.49 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.04 1su8 s VAL 240 CO 0.58 -0.83 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.64 1su8 s VAL 241 N -3.30 1.82 0.00 1.32 1.01 -1.26 -0.81 120.40 119.18 1su8 s VAL 241 Ca 0.06 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1su8 s VAL 241 Cb 0.03 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1su8 s VAL 241 CO -0.05 0.51 0.00 1.07 0.00 0.00 0.00 175.10 176.62 1su8 n THR 242 N 3.48 0.00 -4.14 3.92 5.66 0.95 -4.91 114.28 119.24 1su8 n THR 242 Ca -0.20 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.70 1su8 n THR 242 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 1su8 n THR 242 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1su8 s GLU 243 N 1.55 1.02 0.11 1.09 2.02 -1.26 -0.75 118.70 122.49 1su8 s GLU 243 Ca 0.00 -1.45 -0.05 0.00 0.02 0.00 0.00 54.97 53.48 1su8 s GLU 243 Cb 0.00 0.26 -0.02 0.00 0.10 0.00 0.00 34.13 34.47 1su8 s GLU 243 CO 0.00 -0.31 0.14 -1.54 0.02 0.00 0.00 175.26 173.57 1su8 s SER 244 N -3.06 0.22 0.00 -0.19 1.04 -0.41 -2.05 113.70 109.24 1su8 s SER 244 Ca 0.27 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1su8 s SER 244 Cb 0.07 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1su8 s SER 244 CO 0.04 -0.75 0.00 -3.20 0.98 0.00 0.00 173.24 170.31 1su8 n ASN 245 N -0.08 0.00 0.28 7.02 4.05 0.33 -1.22 115.26 125.63 1su8 n ASN 245 Ca -0.10 0.00 0.15 0.00 0.45 0.00 0.00 54.58 55.08 1su8 n ASN 245 Cb 0.63 0.00 0.78 0.00 1.23 0.00 0.00 39.78 42.42 1su8 n ASN 245 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1su8 h LEU 246 N 0.00 0.00 0.00 1.20 3.38 -1.59 -1.56 115.31 116.74 1su8 h LEU 246 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1su8 h LEU 246 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1su8 h LEU 246 CO 0.00 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.23 1su8 n GLY 247 N -0.60 -0.48 0.07 0.83 0.00 -0.31 -1.49 105.19 103.21 1su8 n GLY 247 Ca -0.02 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1su8 n GLY 247 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1su8 n VAL 248 N -1.31 0.52 -2.32 1.61 0.24 -0.59 -4.76 118.33 111.72 1su8 n VAL 248 Ca 0.02 -0.07 -0.36 0.00 -2.04 0.00 0.00 64.34 61.89 1su8 n VAL 248 Cb 0.04 -0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 31.70 1su8 n VAL 248 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1su8 s LEU 249 N -3.99 3.86 -0.12 1.34 1.43 -0.55 -5.03 118.68 115.61 1su8 s LEU 249 Ca 0.10 2.17 -0.00 0.00 -1.03 0.00 0.00 54.13 55.37 1su8 s LEU 249 Cb 0.13 -4.46 0.03 0.00 0.03 0.00 0.00 46.19 41.92 1su8 s LEU 249 CO 0.51 -1.03 -0.08 -0.54 0.23 0.00 0.00 176.35 175.45 1su8 s LYS 250 N -3.07 1.58 0.49 1.70 1.02 -1.26 -5.02 119.74 115.17 1su8 s LYS 250 Ca 0.69 -0.29 0.18 0.00 0.02 0.00 0.00 55.97 56.56 1su8 s LYS 250 Cb -0.24 -1.66 1.21 0.00 -0.52 0.00 0.00 37.83 36.62 1su8 s LYS 250 CO 0.28 -0.28 2.02 0.00 -0.92 0.00 0.00 175.35 176.45 1su8 h ALA 251 N 8.16 2.19 -0.59 5.17 0.00 -1.96 -1.90 119.26 130.34 1su8 h ALA 251 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1su8 h ALA 251 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1su8 h ALA 251 CO 0.41 -0.30 0.00 -0.40 0.00 0.00 0.00 179.25 178.97 1su8 n ASP 252 N -4.45 3.30 -4.68 0.00 5.75 -1.26 -4.87 116.55 110.34 1su8 n ASP 252 Ca 0.07 -1.99 -0.23 0.00 -0.01 0.00 0.00 54.79 52.63 1su8 n ASP 252 Cb 0.40 -0.39 -0.07 0.00 -1.03 0.00 0.00 41.12 40.03 1su8 n ASP 252 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1su8 s ALA 253 N -1.22 3.31 -0.43 2.12 0.00 -0.71 -0.51 121.76 124.31 1su8 s ALA 253 Ca 0.41 -1.77 -0.29 0.00 0.00 0.00 0.00 51.96 50.31 1su8 s ALA 253 Cb 0.22 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1su8 s ALA 253 CO 0.29 0.14 1.22 0.08 0.00 0.00 0.00 175.76 177.48 1su8 s VAL 254 N -2.39 4.15 -0.24 0.00 1.01 -0.61 -4.87 120.40 117.45 1su8 s VAL 254 Ca 0.34 1.20 -0.16 0.00 0.00 0.00 0.00 61.98 63.37 1su8 s VAL 254 Cb -0.04 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 1su8 s VAL 254 CO 0.21 -0.85 0.41 0.20 0.00 0.00 0.00 175.10 175.06 1su8 s ASN 255 N 2.78 6.35 -0.17 3.32 0.01 -1.26 -0.18 114.94 125.79 1su8 s ASN 255 Ca 0.52 0.41 0.00 0.00 -0.71 0.00 0.00 52.86 53.08 1su8 s ASN 255 Cb -0.10 -2.23 0.03 0.00 0.41 0.00 0.00 41.25 39.36 1su8 s ASN 255 CO 0.30 -0.16 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.92 1su8 s VAL 256 N 1.85 1.56 -0.04 1.60 1.01 -0.55 -1.02 120.40 124.80 1su8 s VAL 256 Ca 0.17 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 1su8 s VAL 256 Cb -0.15 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1su8 s VAL 256 CO 0.09 0.30 0.42 0.00 0.00 0.00 0.00 175.10 175.91 1su8 s ALA 257 N 1.46 3.63 -0.19 5.51 0.00 -0.05 -0.65 121.76 131.47 1su8 s ALA 257 Ca 0.02 -0.23 -0.10 0.00 0.00 0.00 0.00 51.96 51.65 1su8 s ALA 257 Cb -0.15 -2.46 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 1su8 s ALA 257 CO -0.09 0.32 0.13 0.14 0.00 0.00 0.00 175.76 176.26 1su8 s VAL 258 N -0.49 5.42 -0.03 0.00 -7.23 -0.28 -0.32 120.40 117.47 1su8 s VAL 258 Ca 0.24 0.20 -0.04 0.00 -1.81 0.00 0.00 61.98 60.56 1su8 s VAL 258 Cb -0.16 -3.46 0.01 0.00 0.56 0.00 0.00 36.38 33.32 1su8 s VAL 258 CO 0.12 0.46 0.11 -2.28 -0.31 0.00 0.00 175.10 173.19 1su8 s HIS 259 N 0.20 -0.06 0.00 2.82 5.04 -0.40 -0.92 115.29 121.97 1su8 s HIS 259 Ca 0.09 0.14 0.00 0.00 -1.54 0.00 0.00 55.06 53.75 1su8 s HIS 259 Cb -0.11 0.00 0.00 0.00 0.04 0.00 0.00 32.58 32.51 1su8 s HIS 259 CO -0.01 -0.12 0.00 0.41 -2.34 0.00 0.00 174.74 172.68 1su8 n GLY 260 N 2.56 0.07 0.00 1.59 0.00 -1.26 -2.61 105.19 105.54 1su8 n GLY 260 Ca -0.16 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1su8 n GLY 260 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1su8 n HIS 261 N 0.00 0.00 -3.23 1.61 8.25 -1.15 -0.44 115.22 120.26 1su8 n HIS 261 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 1su8 n HIS 261 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1su8 n HIS 261 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1su8 s ASN 262 N -3.01 6.56 0.06 0.41 3.84 -1.26 -4.01 114.94 117.53 1su8 s ASN 262 Ca 0.00 0.68 0.13 0.00 0.21 0.00 0.00 52.86 53.88 1su8 s ASN 262 Cb 0.00 -2.30 0.57 0.00 -0.55 0.00 0.00 41.25 38.97 1su8 s ASN 262 CO 0.00 -0.21 1.41 -0.81 -2.79 0.00 0.00 177.10 174.70 1su8 n PRO 263 N 4.93 0.04 -0.29 0.43 -0.04 -1.26 -2.70 135.00 136.11 1su8 n PRO 263 Ca -0.04 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 1su8 n PRO 263 Cb 0.50 -1.59 0.37 0.00 -0.04 0.00 0.00 33.50 32.74 1su8 n PRO 263 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1su8 h VAL 264 N 0.00 0.82 0.00 0.52 2.07 -2.00 0.11 116.25 117.77 1su8 h VAL 264 Ca 0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1su8 h VAL 264 Cb 0.19 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1su8 h VAL 264 CO 0.00 0.13 -0.04 0.25 0.02 0.00 0.00 177.57 177.93 1su8 h LEU 265 N 0.71 0.00 -0.79 2.57 5.85 -1.94 -3.38 115.31 118.33 1su8 h LEU 265 Ca 0.47 0.00 0.15 0.00 0.84 0.00 0.00 57.88 59.34 1su8 h LEU 265 Cb 0.75 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.68 1su8 h LEU 265 CO -0.23 0.45 0.33 0.77 -0.34 0.00 0.00 178.44 179.42 1su8 h SER 266 N -0.86 0.31 0.01 1.25 4.64 -1.53 -1.99 113.55 115.38 1su8 h SER 266 Ca 0.00 0.11 -0.13 0.00 -0.47 0.00 0.00 61.79 61.30 1su8 h SER 266 Cb 0.04 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1su8 h SER 266 CO 0.00 0.10 -0.43 -0.78 -0.87 0.00 0.00 176.83 174.85 1su8 h ASP 267 N 0.46 0.55 -0.21 4.97 3.58 -1.00 -1.50 116.42 123.26 1su8 h ASP 267 Ca 0.44 -0.25 -0.18 0.00 0.42 0.00 0.00 57.03 57.46 1su8 h ASP 267 Cb 0.70 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 1su8 h ASP 267 CO -0.42 0.91 -0.56 0.40 -2.88 0.00 0.00 179.24 176.69 1su8 h ILE 268 N 0.42 1.28 -0.99 2.25 1.08 -1.60 -2.90 117.51 117.06 1su8 h ILE 268 Ca 0.03 -1.76 0.10 0.00 -0.39 0.00 0.00 64.86 62.84 1su8 h ILE 268 Cb 0.93 1.68 -0.08 0.00 -3.07 0.00 0.00 36.82 36.27 1su8 h ILE 268 CO 0.08 0.57 0.62 0.40 -0.69 0.00 0.00 178.15 179.13 1su8 h ILE 269 N 0.62 0.98 -0.23 -0.67 1.08 -0.65 -2.13 117.51 116.50 1su8 h ILE 269 Ca 0.01 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.11 1su8 h ILE 269 Cb 1.16 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 1su8 h ILE 269 CO 0.12 0.19 0.09 0.58 -0.69 0.00 0.00 178.15 178.44 1su8 h VAL 270 N 1.04 1.17 0.03 1.67 2.07 -1.10 -1.02 116.25 120.10 1su8 h VAL 270 Ca 0.47 -0.51 -0.24 0.00 0.82 0.00 0.00 66.70 67.24 1su8 h VAL 270 Cb 0.36 1.07 0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1su8 h VAL 270 CO -0.23 0.17 -1.01 0.28 0.02 0.00 0.00 177.57 176.80 1su8 h SER 271 N 0.22 0.56 -0.60 0.57 0.02 -1.36 -3.18 113.55 109.79 1su8 h SER 271 Ca 0.08 -0.47 -0.08 0.00 -0.84 0.00 0.00 61.79 60.48 1su8 h SER 271 Cb 0.18 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1su8 h SER 271 CO -0.01 1.28 0.07 0.58 -1.14 0.00 0.00 176.83 177.62 1su8 h VAL 272 N 0.22 1.26 -0.79 2.27 2.07 -1.38 -2.05 116.25 117.86 1su8 h VAL 272 Ca -0.10 -1.04 0.17 0.00 0.82 0.00 0.00 66.70 66.56 1su8 h VAL 272 Cb 1.66 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 1su8 h VAL 272 CO 0.18 0.38 0.53 0.77 0.02 0.00 0.00 177.57 179.45 1su8 h SER 273 N 0.91 0.33 0.95 0.57 4.64 -1.18 -1.33 113.55 118.44 1su8 h SER 273 Ca 0.18 0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.32 1su8 h SER 273 Cb 0.46 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 1su8 h SER 273 CO 0.02 0.15 -0.95 0.11 -0.87 0.00 0.00 176.83 175.29 1su8 h LYS 274 N 0.34 0.00 -0.98 4.77 1.57 -1.36 -2.57 116.57 118.33 1su8 h LYS 274 Ca 0.39 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.41 1su8 h LYS 274 Cb 1.03 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.26 1su8 h LYS 274 CO -0.12 0.95 0.64 1.49 -0.57 0.00 0.00 179.45 181.84 1su8 h GLU 275 N 0.00 0.41 -0.68 3.15 4.81 -0.99 -2.77 114.58 118.50 1su8 h GLU 275 Ca -0.01 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 1su8 h GLU 275 Cb 1.68 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.92 1su8 h GLU 275 CO 0.12 0.27 0.12 -1.33 -0.73 0.00 0.00 179.01 177.46 1su8 n MET 276 N -4.57 4.23 -0.21 1.92 0.00 -0.71 -4.44 117.12 113.34 1su8 n MET 276 Ca 0.22 -2.96 0.01 0.00 0.00 0.00 0.00 57.70 54.98 1su8 n MET 276 Cb 0.79 -2.21 0.13 0.00 0.00 0.00 0.00 33.22 31.92 1su8 n MET 276 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1su8 h GLU 277 N 3.25 0.35 -0.27 0.03 5.08 -1.46 -1.71 114.58 119.85 1su8 h GLU 277 Ca 0.11 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 1su8 h GLU 277 Cb 2.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.23 1su8 h GLU 277 CO 0.58 0.23 -0.48 -0.91 -1.00 0.00 0.00 179.01 177.43 1su8 h ASN 278 N 0.36 0.78 -0.57 1.42 4.21 -1.85 0.77 115.58 120.71 1su8 h ASN 278 Ca 0.33 -0.39 -0.02 0.00 1.21 0.00 0.00 56.30 57.43 1su8 h ASN 278 Cb 0.46 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 37.41 1su8 h ASN 278 CO -0.36 1.13 0.30 -0.08 -1.29 0.00 0.00 177.43 177.13 1su8 h GLU 279 N 0.57 0.84 -0.34 0.81 4.81 -1.80 0.17 114.58 119.64 1su8 h GLU 279 Ca 0.03 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 1su8 h GLU 279 Cb 1.04 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 1su8 h GLU 279 CO 0.10 0.64 -0.46 0.00 -0.73 0.00 0.00 179.01 178.56 1su8 h ALA 280 N 1.49 0.53 -0.57 2.92 0.00 -0.71 -2.43 119.26 120.49 1su8 h ALA 280 Ca 0.21 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1su8 h ALA 280 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1su8 h ALA 280 CO -0.03 0.68 0.14 0.00 0.00 0.00 0.00 179.25 180.04 1su8 h ARG 281 N 0.72 0.87 -0.19 0.00 3.08 -0.44 -1.06 114.38 117.37 1su8 h ARG 281 Ca 0.04 -0.18 0.05 0.00 0.07 0.00 0.00 59.98 59.97 1su8 h ARG 281 Cb 1.06 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1su8 h ARG 281 CO 0.11 0.78 0.16 0.00 -1.07 0.00 0.00 179.97 179.94 1su8 h ALA 282 N 1.32 2.00 -0.02 0.04 0.00 -0.25 -0.02 119.26 122.33 1su8 h ALA 282 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1su8 h ALA 282 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1su8 h ALA 282 CO -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 178.99 1su8 n ALA 283 N -2.47 2.58 0.00 0.00 0.00 -0.47 -4.92 120.51 115.23 1su8 n ALA 283 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1su8 n ALA 283 Cb 0.29 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1su8 n ALA 283 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1su8 n GLY 284 N 1.17 0.59 3.95 0.00 0.00 -0.02 -4.80 105.19 106.10 1su8 n GLY 284 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1su8 n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su8 s ALA 285 N -2.00 3.82 -0.30 4.61 0.00 -0.81 -4.97 121.76 122.10 1su8 s ALA 285 Ca 0.00 -1.07 0.23 0.00 0.00 0.00 0.00 51.96 51.12 1su8 s ALA 285 Cb 0.00 -2.01 0.45 0.00 0.00 0.00 0.00 23.12 21.56 1su8 s ALA 285 CO 0.00 -0.09 1.64 1.79 0.00 0.00 0.00 175.76 179.10 1su8 h THR 286 N 0.72 0.17 0.00 0.00 1.35 -1.08 -3.29 112.91 110.78 1su8 h THR 286 Ca -0.48 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 1su8 h THR 286 Cb 1.23 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 1su8 h THR 286 CO 0.59 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.56 1su8 n GLY 287 N 0.95 -2.09 3.64 5.82 0.00 -1.26 -4.75 105.19 107.50 1su8 n GLY 287 Ca 0.03 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 1su8 n GLY 287 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1su8 s ILE 288 N -2.50 5.31 -0.72 -0.61 1.01 -1.26 -1.57 121.20 120.87 1su8 s ILE 288 Ca 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.80 1su8 s ILE 288 Cb 0.00 -3.55 0.19 0.00 0.01 0.00 0.00 42.46 39.10 1su8 s ILE 288 CO 0.00 0.29 0.64 0.21 0.00 0.00 0.00 174.94 176.08 1su8 s ASN 289 N 1.29 6.35 0.06 3.58 2.47 0.75 -4.92 114.94 124.53 1su8 s ASN 289 Ca 0.09 -2.50 -0.30 0.00 0.42 0.00 0.00 52.86 50.57 1su8 s ASN 289 Cb -0.14 -2.14 -0.05 0.00 -1.45 0.00 0.00 41.25 37.47 1su8 s ASN 289 CO 0.07 -0.60 1.02 -0.69 -3.72 0.00 0.00 177.10 173.18 1su8 s VAL 290 N 0.47 4.53 0.14 -5.21 1.01 -1.26 -1.47 120.40 118.60 1su8 s VAL 290 Ca 0.14 1.93 0.05 0.00 0.00 0.00 0.00 61.98 64.11 1su8 s VAL 290 Cb -0.16 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1su8 s VAL 290 CO -0.05 0.21 -0.12 0.68 0.00 0.00 0.00 175.10 175.82 1su8 s VAL 291 N 0.57 1.29 0.03 2.92 -7.23 0.18 -4.40 120.40 113.75 1su8 s VAL 291 Ca 0.51 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.77 1su8 s VAL 291 Cb -0.24 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1su8 s VAL 291 CO 0.29 -0.60 0.06 -0.83 -0.31 0.00 0.00 175.10 173.72 1su8 s GLY 292 N -2.88 1.98 -0.00 2.32 0.00 0.02 -1.12 107.32 107.64 1su8 s GLY 292 Ca 0.14 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 43.97 1su8 s GLY 292 CO 0.02 -0.85 -0.17 -0.42 0.00 0.00 0.00 173.10 171.68 1su8 s ILE 293 N -1.23 1.34 0.00 0.90 1.01 -0.10 -0.15 121.20 122.97 1su8 s ILE 293 Ca 0.24 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1su8 s ILE 293 Cb -0.12 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.22 1su8 s ILE 293 CO 0.16 0.31 0.00 0.00 0.00 0.00 0.00 174.94 175.41 1su8 h THR 296 N 0.50 1.15 -0.58 0.00 1.03 -0.88 0.12 112.91 114.26 1su8 h THR 296 Ca 0.01 -0.42 -0.01 0.00 -0.01 0.00 0.00 66.41 65.99 1su8 h THR 296 Cb 1.09 0.60 -0.03 0.00 -1.07 0.00 0.00 68.15 68.75 1su8 h THR 296 CO 0.11 0.17 0.33 1.23 -0.01 0.00 0.00 175.52 177.35 1su8 h GLY 297 N 0.71 0.86 1.13 2.99 0.00 -1.01 -2.09 103.07 105.66 1su8 h GLY 297 Ca 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1su8 h GLY 297 CO -0.02 0.36 0.47 3.43 0.00 0.00 0.00 176.54 180.78 1su8 h ASN 298 N 0.78 1.02 -0.31 0.19 2.35 -0.01 0.10 115.58 119.70 1su8 h ASN 298 Ca 0.21 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1su8 h ASN 298 Cb 0.02 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1su8 h ASN 298 CO -0.04 0.80 0.19 -0.33 -1.65 0.00 0.00 177.43 176.41 1su8 h GLU 299 N 1.15 0.43 0.00 0.81 4.39 -0.42 0.52 114.58 121.46 1su8 h GLU 299 Ca 0.29 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.91 1su8 h GLU 299 Cb -0.00 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1su8 h GLU 299 CO -0.05 0.33 -0.35 -0.39 -1.16 0.00 0.00 179.01 177.39 1su8 h VAL 300 N 0.40 0.32 -0.14 3.13 -1.51 -1.14 -2.12 116.25 115.19 1su8 h VAL 300 Ca 0.11 -1.46 -0.01 0.00 -1.23 0.00 0.00 66.70 64.11 1su8 h VAL 300 Cb 0.01 2.09 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 1su8 h VAL 300 CO -0.02 0.18 0.05 0.25 -1.23 0.00 0.00 177.57 176.80 1su8 h LEU 301 N 0.00 0.20 -0.79 4.19 6.46 -0.55 -0.04 115.31 124.79 1su8 h LEU 301 Ca -0.01 -0.18 -0.08 0.00 -0.12 0.00 0.00 57.88 57.48 1su8 h LEU 301 Cb 1.16 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 1su8 h LEU 301 CO 0.02 0.33 -0.01 0.24 -0.62 0.00 0.00 178.44 178.40 1su8 h MET 302 N 0.06 0.90 0.00 1.25 2.86 -0.78 0.22 114.93 119.45 1su8 h MET 302 Ca 0.05 -0.27 -0.29 0.00 -2.06 0.00 0.00 59.70 57.13 1su8 h MET 302 Cb 0.19 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 1su8 h MET 302 CO -0.00 0.91 -1.87 0.54 1.06 0.00 0.00 176.91 177.54 1su8 n ARG 303 N -4.19 0.65 0.00 1.72 1.74 -0.81 -4.30 116.66 111.47 1su8 n ARG 303 Ca 0.03 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1su8 n ARG 303 Cb 0.33 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1su8 n ARG 303 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1su8 n HIS 304 N -2.93 0.00 -1.48 -1.55 8.25 -0.06 -4.94 115.22 112.50 1su8 n HIS 304 Ca -0.20 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.14 1su8 n HIS 304 Cb 1.05 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.12 1su8 n HIS 304 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1su8 n GLY 305 N 0.13 1.01 3.72 -1.41 0.00 0.06 -4.95 105.19 103.75 1su8 n GLY 305 Ca 0.00 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1su8 n GLY 305 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1su8 s ILE 306 N -2.44 2.58 0.40 -0.61 -1.09 -1.04 -4.73 121.20 114.27 1su8 s ILE 306 Ca 0.00 0.42 -0.25 0.00 -2.23 0.00 0.00 60.65 58.59 1su8 s ILE 306 Cb 0.00 -3.27 -0.08 0.00 -1.58 0.00 0.00 42.46 37.53 1su8 s ILE 306 CO 0.00 0.03 1.20 -2.16 -1.23 0.00 0.00 174.94 172.79 1su8 s PRO 307 N 1.05 4.04 -0.22 2.79 0.04 -1.26 -3.92 135.00 137.52 1su8 s PRO 307 Ca 0.70 1.92 -0.21 0.00 0.04 0.00 0.00 61.00 63.44 1su8 s PRO 307 Cb -0.44 -2.70 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 1su8 s PRO 307 CO 0.32 -0.36 0.66 0.00 0.04 0.00 0.00 177.00 177.67 1su8 s ALA 308 N -1.37 3.57 -0.13 8.56 0.00 -0.87 -0.80 121.76 130.72 1su8 s ALA 308 Ca 0.57 -0.28 -0.21 0.00 0.00 0.00 0.00 51.96 52.03 1su8 s ALA 308 Cb -0.32 -3.04 -0.19 0.00 0.00 0.00 0.00 23.12 19.57 1su8 s ALA 308 CO 0.41 -0.67 0.58 0.00 0.00 0.00 0.00 175.76 176.08 1su8 n THR 310 N -4.66 0.00 -3.80 0.00 5.66 -1.21 -2.92 114.28 107.35 1su8 n THR 310 Ca -0.07 -0.39 -0.12 0.00 -3.05 0.00 0.00 64.05 60.42 1su8 n THR 310 Cb 0.35 0.43 -0.09 0.00 -1.55 0.00 0.00 70.33 69.47 1su8 n THR 310 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1su8 s HIS 311 N -5.13 -0.08 0.00 1.09 0.09 -1.26 -3.16 115.29 106.84 1su8 s HIS 311 Ca 0.09 0.04 0.00 0.00 -0.00 0.00 0.00 55.06 55.19 1su8 s HIS 311 Cb -0.02 0.04 0.00 0.00 -0.00 0.00 0.00 32.58 32.60 1su8 s HIS 311 CO 0.04 -0.38 0.00 0.45 -0.00 0.00 0.00 174.74 174.86 1su8 n SER 312 N 1.18 0.00 0.21 1.40 2.88 -1.26 -2.15 113.62 115.88 1su8 n SER 312 Ca -0.21 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.47 1su8 n SER 312 Cb 0.57 0.00 0.78 0.00 -0.75 0.00 0.00 64.21 64.81 1su8 n SER 312 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1su8 h VAL 313 N 0.00 0.65 -0.52 2.46 3.04 -1.96 -1.74 116.25 118.19 1su8 h VAL 313 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1su8 h VAL 313 Cb 0.00 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.18 1su8 h VAL 313 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.02 1su8 n SER 314 N -4.08 3.61 0.25 3.17 3.41 -0.91 -4.55 113.62 114.51 1su8 n SER 314 Ca 0.01 -2.25 0.09 0.00 -0.26 0.00 0.00 58.87 56.45 1su8 n SER 314 Cb 0.25 -0.47 0.65 0.00 -0.26 0.00 0.00 64.21 64.38 1su8 n SER 314 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1su8 h GLN 315 N 3.23 0.00 0.00 4.33 3.07 -1.41 -0.32 115.11 124.01 1su8 h GLN 315 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1su8 h GLN 315 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.63 1su8 h GLN 315 CO 0.14 0.00 -0.14 0.93 0.09 0.00 0.00 178.83 179.85 1su8 h GLU 316 N 0.00 0.00 0.00 0.06 5.08 -1.85 -2.98 114.58 114.89 1su8 h GLU 316 Ca 0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1su8 h GLU 316 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1su8 h GLU 316 CO -0.00 0.14 -0.20 0.52 -1.00 0.00 0.00 179.01 178.47 1su8 h MET 317 N 0.00 0.00 -0.83 2.33 2.86 -1.40 -1.67 114.93 116.21 1su8 h MET 317 Ca -0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1su8 h MET 317 Cb 0.33 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 1su8 h MET 317 CO 0.02 0.20 0.54 0.00 1.06 0.00 0.00 176.91 178.73 1su8 h ALA 318 N 1.80 1.38 -0.14 6.32 0.00 -1.67 -2.52 119.26 124.43 1su8 h ALA 318 Ca -0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1su8 h ALA 318 Cb 0.41 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1su8 h ALA 318 CO 0.03 0.56 -0.43 0.52 0.00 0.00 0.00 179.25 179.93 1su8 h MET 319 N 1.14 0.33 0.00 0.00 2.07 -1.49 -3.07 114.93 113.90 1su8 h MET 319 Ca 0.30 -0.17 -0.02 0.00 -2.07 0.00 0.00 59.70 57.75 1su8 h MET 319 Cb -0.11 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.62 1su8 h MET 319 CO -0.06 0.70 -0.08 0.82 1.07 0.00 0.00 176.91 179.36 1su8 h ILE 320 N 0.27 0.31 -0.38 -1.22 1.08 -1.16 -1.82 117.51 114.59 1su8 h ILE 320 Ca 0.02 -0.54 0.11 0.00 -0.39 0.00 0.00 64.86 64.07 1su8 h ILE 320 Cb 0.87 1.40 -0.02 0.00 -3.07 0.00 0.00 36.82 36.01 1su8 h ILE 320 CO 0.07 0.08 0.31 0.71 -0.69 0.00 0.00 178.15 178.63 1su8 h THR 321 N 0.00 0.66 0.00 -0.27 1.35 -1.45 -3.46 112.91 109.74 1su8 h THR 321 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1su8 h THR 321 Cb 0.40 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1su8 h THR 321 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1su8 n GLY 322 N -1.56 1.43 0.83 5.82 0.00 -0.68 -0.75 105.19 110.28 1su8 n GLY 322 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1su8 n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su8 n ALA 323 N -0.64 2.39 -2.75 4.61 0.00 -1.26 -4.88 120.51 117.99 1su8 n ALA 323 Ca 0.00 -0.89 -0.44 0.00 0.00 0.00 0.00 53.44 52.12 1su8 n ALA 323 Cb 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 1su8 n ALA 323 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1su8 s LEU 324 N -1.27 4.82 0.16 0.00 2.96 -1.26 -4.21 118.68 119.87 1su8 s LEU 324 Ca 0.27 -0.82 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1su8 s LEU 324 Cb 0.17 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1su8 s LEU 324 CO 0.23 -0.95 1.36 0.44 -1.32 0.00 0.00 176.35 176.11 1su8 h ASP 325 N 9.05 0.30 -4.88 3.68 3.32 -1.42 -3.35 116.42 123.13 1su8 h ASP 325 Ca -0.27 -0.24 -0.13 0.00 0.02 0.00 0.00 57.03 56.41 1su8 h ASP 325 Cb 1.09 -0.09 -0.21 0.00 0.22 0.00 0.00 39.33 40.34 1su8 h ASP 325 CO 0.99 1.05 -0.33 0.00 -1.72 0.00 0.00 179.24 179.23 1su8 s ALA 326 N -3.20 -0.68 -0.23 3.45 0.00 -0.95 -0.96 121.76 119.19 1su8 s ALA 326 Ca -0.03 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.21 1su8 s ALA 326 Cb 0.10 0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.31 1su8 s ALA 326 CO 0.83 -0.24 -0.07 1.41 0.00 0.00 0.00 175.76 177.69 1su8 s MET 327 N -1.21 1.79 -0.36 0.00 1.75 -0.12 -0.87 119.30 120.28 1su8 s MET 327 Ca -0.13 -1.02 -0.13 0.00 -1.25 0.00 0.00 55.69 53.17 1su8 s MET 327 Cb -0.05 -2.60 0.00 0.00 2.84 0.00 0.00 34.83 35.02 1su8 s MET 327 CO 0.03 -0.56 0.24 0.42 -0.65 0.00 0.00 175.02 174.50 1su8 s ILE 328 N 1.35 5.04 -0.02 10.11 1.01 0.56 -0.94 121.20 138.32 1su8 s ILE 328 Ca -0.05 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.11 1su8 s ILE 328 Cb -0.19 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 1su8 s ILE 328 CO -0.06 -0.13 -0.02 -0.76 0.00 0.00 0.00 174.94 173.97 1su8 s LEU 329 N 1.66 3.41 0.00 2.97 1.43 0.22 -1.28 118.68 127.09 1su8 s LEU 329 Ca 0.05 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1su8 s LEU 329 Cb -0.18 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1su8 s LEU 329 CO 0.09 0.30 0.00 -0.90 0.23 0.00 0.00 176.35 176.07 1su8 n ASP 330 N 1.60 0.00 -3.62 2.29 5.68 -1.07 -2.46 116.55 118.97 1su8 n ASP 330 Ca -0.16 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.03 1su8 n ASP 330 Cb 0.53 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.46 1su8 n ASP 330 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 1su8 s TYR 331 N 0.00 -0.22 0.03 2.11 -0.85 -1.26 -4.58 117.35 112.58 1su8 s TYR 331 Ca 0.00 -0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.47 1su8 s TYR 331 Cb 0.00 0.27 0.00 0.00 0.38 0.00 0.00 41.96 42.61 1su8 s TYR 331 CO 0.00 -0.70 0.00 1.04 -1.52 0.00 0.00 175.55 174.37 1su8 n GLN 332 N -0.21 -0.40 -1.05 -3.49 6.02 -1.26 -2.94 117.38 114.05 1su8 n GLN 332 Ca -0.16 0.29 -0.02 0.00 -0.01 0.00 0.00 57.00 57.10 1su8 n GLN 332 Cb 0.64 -0.32 -0.01 0.00 1.02 0.00 0.00 30.24 31.57 1su8 n GLN 332 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1su8 s ILE 334 N -1.83 4.88 0.04 0.00 1.01 -1.26 -4.90 121.20 119.15 1su8 s ILE 334 Ca 0.00 0.35 -0.31 0.00 0.00 0.00 0.00 60.65 60.69 1su8 s ILE 334 Cb 0.00 -4.11 -0.10 0.00 0.01 0.00 0.00 42.46 38.26 1su8 s ILE 334 CO 0.00 -0.41 1.91 0.00 0.00 0.00 0.00 174.94 176.43 1su8 n GLN 335 N 6.09 2.71 0.11 2.79 6.02 -1.26 -4.84 117.38 128.99 1su8 n GLN 335 Ca -0.02 0.99 0.10 0.00 -0.01 0.00 0.00 57.00 58.06 1su8 n GLN 335 Cb 0.48 -2.90 0.45 0.00 1.02 0.00 0.00 30.24 29.29 1su8 n GLN 335 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1su8 n PRO 336 N 6.70 0.15 0.01 -1.09 -0.04 -1.26 -1.54 135.00 137.92 1su8 n PRO 336 Ca 0.20 0.43 0.23 0.00 -0.04 0.00 0.00 63.50 64.32 1su8 n PRO 336 Cb 0.37 -1.81 0.72 0.00 -0.04 0.00 0.00 33.50 32.74 1su8 n PRO 336 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1su8 h SER 337 N 0.00 0.00 -0.25 3.54 4.64 -2.01 -2.22 113.55 117.26 1su8 h SER 337 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1su8 h SER 337 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1su8 h SER 337 CO 0.00 0.00 0.17 -0.37 -0.87 0.00 0.00 176.83 175.76 1su8 h VAL 338 N 0.00 0.98 0.00 0.95 -1.51 -1.66 -0.61 116.25 114.40 1su8 h VAL 338 Ca 0.27 -0.07 -0.08 0.00 -1.23 0.00 0.00 66.70 65.59 1su8 h VAL 338 Cb 1.36 0.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 1su8 h VAL 338 CO -0.00 0.04 -0.37 0.00 -1.23 0.00 0.00 177.57 176.00 1su8 h ALA 339 N 1.86 1.36 0.13 5.19 0.00 -1.65 -1.29 119.26 124.87 1su8 h ALA 339 Ca 0.11 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.45 1su8 h ALA 339 Cb 0.18 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1su8 h ALA 339 CO -0.02 0.47 -1.04 1.15 0.00 0.00 0.00 179.25 179.81 1su8 h THR 340 N 0.00 1.33 -0.81 0.00 2.02 -1.36 -3.32 112.91 110.77 1su8 h THR 340 Ca -0.00 -2.49 0.06 0.00 0.77 0.00 0.00 66.41 64.74 1su8 h THR 340 Cb 0.67 3.01 -0.05 0.00 -1.74 0.00 0.00 68.15 70.05 1su8 h THR 340 CO 0.05 0.71 0.53 0.40 0.37 0.00 0.00 175.52 177.58 1su8 h ILE 341 N -0.35 1.07 -0.45 3.11 2.04 -1.08 -1.98 117.51 119.87 1su8 h ILE 341 Ca -0.20 -0.32 0.13 0.00 1.00 0.00 0.00 64.86 65.47 1su8 h ILE 341 Cb 1.69 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1su8 h ILE 341 CO 0.12 0.17 0.34 0.00 0.00 0.00 0.00 178.15 178.78 1su8 h ALA 342 N 1.55 2.36 -0.03 1.87 0.00 -1.33 -0.07 119.26 123.60 1su8 h ALA 342 Ca 0.34 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1su8 h ALA 342 Cb 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1su8 h ALA 342 CO -0.12 -0.57 -0.18 1.05 0.00 0.00 0.00 179.25 179.43 1su8 h GLU 343 N 0.00 0.04 0.18 0.00 4.11 -1.51 -0.73 114.58 116.68 1su8 h GLU 343 Ca 0.21 -0.01 -0.35 0.00 0.07 0.00 0.00 59.36 59.29 1su8 h GLU 343 Cb 0.90 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.15 1su8 h GLU 343 CO -0.00 0.22 -1.71 0.00 0.07 0.00 0.00 179.01 177.59 1su8 n THR 345 N -3.58 0.05 0.00 0.00 -2.24 -0.57 -4.97 114.28 102.97 1su8 n THR 345 Ca -0.23 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1su8 n THR 345 Cb 1.07 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1su8 n THR 345 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1su8 n GLY 346 N 1.40 2.04 3.77 3.38 0.00 -0.29 -4.73 105.19 110.75 1su8 n GLY 346 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1su8 n GLY 346 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1su8 n THR 347 N -2.00 2.06 -3.12 2.61 -1.04 -1.23 -4.95 114.28 106.61 1su8 n THR 347 Ca 0.00 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.08 1su8 n THR 347 Cb 0.00 -1.94 -0.07 0.00 -1.82 0.00 0.00 70.33 66.50 1su8 n THR 347 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1su8 s THR 348 N -1.12 4.85 -0.22 12.58 2.01 -0.14 -4.75 115.64 128.86 1su8 s THR 348 Ca 0.54 0.18 -0.18 0.00 0.31 0.00 0.00 61.69 62.54 1su8 s THR 348 Cb -0.48 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 67.83 1su8 s THR 348 CO 0.63 -0.53 0.50 -0.69 -0.69 0.00 0.00 174.62 173.84 1su8 s VAL 349 N 2.76 5.11 -0.16 3.82 1.01 -1.26 -0.95 120.40 130.74 1su8 s VAL 349 Ca 0.22 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1su8 s VAL 349 Cb -0.14 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1su8 s VAL 349 CO 0.18 0.16 -0.15 -0.63 0.00 0.00 0.00 175.10 174.67 1su8 s ILE 350 N 1.78 1.63 0.31 2.22 1.01 -0.12 -1.70 121.20 126.33 1su8 s ILE 350 Ca 0.23 -0.69 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 1su8 s ILE 350 Cb -0.15 -1.54 -0.06 0.00 0.01 0.00 0.00 42.46 40.72 1su8 s ILE 350 CO 0.09 0.45 0.61 0.42 0.00 0.00 0.00 174.94 176.51 1su8 s THR 351 N 1.46 4.95 0.00 2.92 -4.23 -0.11 -0.61 115.64 120.02 1su8 s THR 351 Ca 0.05 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 1su8 s THR 351 Cb -0.13 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1su8 s THR 351 CO -0.11 -0.35 0.00 0.35 -0.54 0.00 0.00 174.62 173.97 1su8 n THR 352 N -0.96 0.00 -4.68 3.99 -2.24 -1.03 -0.86 114.28 108.50 1su8 n THR 352 Ca -0.00 -0.14 -0.33 0.00 -2.27 0.00 0.00 64.05 61.31 1su8 n THR 352 Cb 0.54 0.94 -0.13 0.00 -2.10 0.00 0.00 70.33 69.58 1su8 n THR 352 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1su8 s MET 353 N -0.31 3.27 0.47 -0.78 -1.94 -1.26 -1.95 119.30 116.78 1su8 s MET 353 Ca 0.00 -0.62 0.24 0.00 -1.71 0.00 0.00 55.69 53.59 1su8 s MET 353 Cb 0.00 -2.67 1.13 0.00 2.01 0.00 0.00 34.83 35.31 1su8 s MET 353 CO 0.00 0.33 1.94 1.49 -0.01 0.00 0.00 175.02 178.77 1su8 h GLU 354 N 6.33 0.00 -0.46 2.03 4.81 -1.96 -1.06 114.58 124.27 1su8 h GLU 354 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1su8 h GLU 354 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1su8 h GLU 354 CO 0.56 0.21 0.00 0.00 -0.73 0.00 0.00 179.01 179.05 1su8 n MET 355 N -3.62 2.02 -3.29 1.92 0.00 -1.26 -4.56 117.12 108.33 1su8 n MET 355 Ca -0.01 -1.23 -0.20 0.00 0.00 0.00 0.00 57.70 56.25 1su8 n MET 355 Cb 0.34 -1.41 -0.08 0.00 0.00 0.00 0.00 33.22 32.07 1su8 n MET 355 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1su8 s SER 356 N -0.82 1.05 0.23 3.17 0.15 -0.40 -5.12 113.70 111.96 1su8 s SER 356 Ca 0.22 -2.31 0.08 0.00 0.70 0.00 0.00 55.95 54.65 1su8 s SER 356 Cb 0.13 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1su8 s SER 356 CO 0.13 -0.19 0.05 -0.54 1.20 0.00 0.00 173.24 173.89 1su8 s LYS 357 N 0.72 2.51 -0.06 5.44 1.02 -1.26 -4.48 119.74 123.63 1su8 s LYS 357 Ca 0.26 -1.22 -0.01 0.00 0.02 0.00 0.00 55.97 55.02 1su8 s LYS 357 Cb -0.06 -2.34 0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1su8 s LYS 357 CO -0.10 0.40 -0.01 0.42 -0.92 0.00 0.00 175.35 175.15 1su8 s ILE 358 N -2.09 0.38 0.16 2.17 1.01 -1.26 -5.10 121.20 116.46 1su8 s ILE 358 Ca 0.31 0.08 -0.34 0.00 0.00 0.00 0.00 60.65 60.70 1su8 s ILE 358 Cb -0.08 -0.50 -0.14 0.00 0.01 0.00 0.00 42.46 41.75 1su8 s ILE 358 CO 0.21 0.24 1.51 0.41 0.00 0.00 0.00 174.94 177.31 1su8 n THR 359 N 4.84 0.13 0.00 2.92 -1.04 -1.26 -1.17 114.28 118.69 1su8 n THR 359 Ca -0.12 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1su8 n THR 359 Cb 0.50 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 1su8 n THR 359 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1su8 n GLY 360 N 3.10 1.11 3.88 3.41 0.00 -1.26 -4.82 105.19 110.61 1su8 n GLY 360 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1su8 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su8 s ALA 361 N -2.30 3.71 0.21 4.61 0.00 -0.32 -4.97 121.76 122.70 1su8 s ALA 361 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 1su8 s ALA 361 Cb 0.00 -2.26 -0.08 0.00 0.00 0.00 0.00 23.12 20.78 1su8 s ALA 361 CO 0.00 0.59 1.20 0.99 0.00 0.00 0.00 175.76 178.54 1su8 s THR 362 N -1.60 3.48 -0.20 0.00 2.01 -0.69 -4.81 115.64 113.82 1su8 s THR 362 Ca 0.40 1.29 -0.06 0.00 0.31 0.00 0.00 61.69 63.62 1su8 s THR 362 Cb -0.13 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1su8 s THR 362 CO 0.21 0.23 0.03 -2.28 -0.69 0.00 0.00 174.62 172.12 1su8 s HIS 363 N -0.27 3.09 -0.27 4.92 2.46 -1.26 -0.94 115.29 123.02 1su8 s HIS 363 Ca 0.52 -0.32 0.03 0.00 0.47 0.00 0.00 55.06 55.76 1su8 s HIS 363 Cb -0.33 -2.11 0.07 0.00 -0.13 0.00 0.00 32.58 30.08 1su8 s HIS 363 CO 0.38 -0.17 -0.08 0.08 -2.47 0.00 0.00 174.74 172.49 1su8 s VAL 364 N 0.96 2.18 0.21 0.89 1.01 -0.04 -4.96 120.40 120.65 1su8 s VAL 364 Ca 0.02 -1.76 -0.32 0.00 0.00 0.00 0.00 61.98 59.93 1su8 s VAL 364 Cb -0.14 -2.35 -0.12 0.00 0.00 0.00 0.00 36.38 33.78 1su8 s VAL 364 CO 0.02 -0.13 1.68 0.21 0.00 0.00 0.00 175.10 176.88 1su8 s ASN 365 N 1.07 6.42 -0.17 3.32 3.04 -1.26 -4.12 114.94 123.23 1su8 s ASN 365 Ca -0.05 2.84 -0.08 0.00 0.04 0.00 0.00 52.86 55.60 1su8 s ASN 365 Cb -0.20 -2.60 -0.04 0.00 -1.54 0.00 0.00 41.25 36.86 1su8 s ASN 365 CO -0.06 -0.94 0.10 0.12 -3.04 0.00 0.00 177.10 173.29 1su8 s PHE 366 N 1.01 3.38 -0.04 0.43 5.36 -0.82 -4.94 117.98 122.36 1su8 s PHE 366 Ca 0.72 0.28 0.04 0.00 -0.96 0.00 0.00 56.93 57.01 1su8 s PHE 366 Cb -0.48 -2.06 -0.00 0.00 -0.34 0.00 0.00 43.02 40.13 1su8 s PHE 366 CO 0.34 0.36 -0.15 0.00 -1.46 0.00 0.00 175.22 174.31 1su8 s ALA 367 N -0.02 1.36 0.49 11.12 0.00 -1.26 -4.94 121.76 128.50 1su8 s ALA 367 Ca 0.08 -0.59 0.17 0.00 0.00 0.00 0.00 51.96 51.63 1su8 s ALA 367 Cb -0.12 -0.47 1.22 0.00 0.00 0.00 0.00 23.12 23.75 1su8 s ALA 367 CO 0.00 0.23 2.09 0.93 0.00 0.00 0.00 175.76 179.02 1su8 h GLU 368 N 6.34 0.00 0.00 0.00 3.07 -1.97 0.39 114.58 122.40 1su8 h GLU 368 Ca -0.32 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.53 1su8 h GLU 368 Cb 1.17 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1su8 h GLU 368 CO 0.48 0.08 -0.03 0.93 -1.40 0.00 0.00 179.01 179.07 1su8 h GLU 369 N 0.00 0.00 0.00 2.33 3.07 -1.94 -2.77 114.58 115.27 1su8 h GLU 369 Ca -0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1su8 h GLU 369 Cb 0.15 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 27.96 1su8 h GLU 369 CO 0.01 0.03 -0.56 0.00 -1.40 0.00 0.00 179.01 177.09 1su8 n ALA 370 N -2.12 2.95 -0.17 3.43 0.00 0.01 -4.80 120.51 119.82 1su8 n ALA 370 Ca -0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 53.44 50.67 1su8 n ALA 370 Cb 0.28 -0.47 0.07 0.00 0.00 0.00 0.00 19.45 19.33 1su8 n ALA 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1su8 h ALA 371 N 0.75 0.63 -0.38 0.00 0.00 -0.94 0.15 119.26 119.47 1su8 h ALA 371 Ca -0.06 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1su8 h ALA 371 Cb 1.27 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1su8 h ALA 371 CO 0.03 -0.21 0.05 0.28 0.00 0.00 0.00 179.25 179.40 1su8 h VAL 372 N 0.36 1.24 -0.61 0.00 2.07 -1.88 0.10 116.25 117.54 1su8 h VAL 372 Ca 0.25 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 1su8 h VAL 372 Cb 0.27 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1su8 h VAL 372 CO -0.26 0.30 0.12 -0.33 0.02 0.00 0.00 177.57 177.42 1su8 h GLU 373 N 0.48 0.99 -0.80 1.57 5.08 -1.78 -0.62 114.58 119.50 1su8 h GLU 373 Ca 0.11 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1su8 h GLU 373 Cb 0.38 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1su8 h GLU 373 CO 0.01 0.93 0.33 -0.91 -1.00 0.00 0.00 179.01 178.36 1su8 h ASN 374 N 0.90 1.09 -0.91 1.42 2.35 -0.47 -2.09 115.58 117.87 1su8 h ASN 374 Ca 0.19 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1su8 h ASN 374 Cb 0.40 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 1su8 h ASN 374 CO 0.01 0.96 0.50 0.00 -1.65 0.00 0.00 177.43 177.25 1su8 h ALA 375 N 1.17 1.16 -0.61 -0.83 0.00 -0.46 -1.68 119.26 118.01 1su8 h ALA 375 Ca 0.27 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1su8 h ALA 375 Cb 0.20 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1su8 h ALA 375 CO -0.02 0.66 0.15 0.87 0.00 0.00 0.00 179.25 180.91 1su8 h LYS 376 N 1.27 0.96 0.06 0.00 1.57 -0.60 -0.13 116.57 119.69 1su8 h LYS 376 Ca 0.32 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1su8 h LYS 376 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1su8 h LYS 376 CO -0.05 0.85 -0.08 0.37 -0.57 0.00 0.00 179.45 179.97 1su8 h GLN 377 N 0.92 -0.16 -0.11 3.15 4.15 -1.13 0.89 115.11 122.82 1su8 h GLN 377 Ca 0.20 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.63 1su8 h GLN 377 Cb 0.33 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1su8 h GLN 377 CO -0.00 -0.11 0.07 0.82 -1.93 0.00 0.00 178.83 177.69 1su8 h ILE 378 N -0.16 1.03 -0.07 2.39 2.04 -1.03 -2.28 117.51 119.43 1su8 h ILE 378 Ca 0.01 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 1su8 h ILE 378 Cb 0.17 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1su8 h ILE 378 CO -0.03 0.03 -0.42 -0.07 0.00 0.00 0.00 178.15 177.65 1su8 h LEU 379 N 0.15 0.15 -1.12 1.44 3.38 -0.85 -2.17 115.31 116.29 1su8 h LEU 379 Ca 0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1su8 h LEU 379 Cb -0.01 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1su8 h LEU 379 CO -0.01 0.56 0.26 0.03 0.09 0.00 0.00 178.44 179.38 1su8 h ARG 380 N 0.12 0.89 -0.80 1.13 3.08 -0.54 -0.07 114.38 118.18 1su8 h ARG 380 Ca 0.01 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 59.94 1su8 h ARG 380 Cb 0.80 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 1su8 h ARG 380 CO 0.06 0.71 0.53 -0.07 -1.07 0.00 0.00 179.97 180.13 1su8 h LEU 381 N 0.88 0.92 -0.31 3.04 3.38 -0.82 -1.16 115.31 121.23 1su8 h LEU 381 Ca 0.21 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1su8 h LEU 381 Cb 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1su8 h LEU 381 CO -0.02 0.67 0.04 0.00 0.09 0.00 0.00 178.44 179.21 1su8 h ALA 382 N 1.50 0.42 -0.74 1.53 0.00 -1.09 -1.50 119.26 119.37 1su8 h ALA 382 Ca 0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1su8 h ALA 382 Cb -0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1su8 h ALA 382 CO -0.06 0.12 0.39 0.82 0.00 0.00 0.00 179.25 180.52 1su8 h ILE 383 N 0.34 1.23 -0.99 0.00 2.04 -0.77 -0.42 117.51 118.93 1su8 h ILE 383 Ca 0.09 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.39 1su8 h ILE 383 Cb 0.36 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 1su8 h ILE 383 CO 0.01 0.25 0.66 0.44 0.00 0.00 0.00 178.15 179.51 1su8 h ASP 384 N 1.02 1.13 -0.54 1.72 3.45 -1.03 -1.18 116.42 120.98 1su8 h ASP 384 Ca 0.26 -0.03 -0.11 0.00 0.43 0.00 0.00 57.03 57.58 1su8 h ASP 384 Cb 0.05 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.53 1su8 h ASP 384 CO -0.04 0.81 -0.10 0.74 -1.57 0.00 0.00 179.24 179.07 1su8 h THR 385 N 1.32 1.27 -0.68 0.35 2.02 -0.75 -2.50 112.91 113.95 1su8 h THR 385 Ca 0.37 -1.26 0.09 0.00 0.77 0.00 0.00 66.41 66.38 1su8 h THR 385 Cb -0.12 0.97 -0.07 0.00 -1.74 0.00 0.00 68.15 67.19 1su8 h THR 385 CO -0.09 0.44 0.33 0.15 0.37 0.00 0.00 175.52 176.73 1su8 h PHE 386 N 0.90 0.59 -0.34 3.16 3.57 -0.56 -1.79 116.94 122.47 1su8 h PHE 386 Ca 0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1su8 h PHE 386 Cb 0.67 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1su8 h PHE 386 CO 0.05 0.22 0.07 0.87 -2.23 0.00 0.00 178.31 177.29 1su8 h LYS 387 N 0.57 0.50 0.00 1.11 1.57 -0.96 -1.94 116.57 117.42 1su8 h LYS 387 Ca 0.33 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1su8 h LYS 387 Cb 0.33 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1su8 h LYS 387 CO -0.26 0.47 -0.13 0.00 -0.57 0.00 0.00 179.45 178.97 1su8 h ARG 388 N 0.49 0.00 -0.68 3.15 3.08 -0.89 -2.80 114.38 116.73 1su8 h ARG 388 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1su8 h ARG 388 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1su8 h ARG 388 CO -0.00 0.13 0.00 2.89 -1.07 0.00 0.00 179.97 181.92 1su8 n ARG 389 N -3.24 3.21 -1.88 0.04 1.85 -0.74 -4.92 116.66 110.97 1su8 n ARG 389 Ca 0.01 -2.66 -0.42 0.00 -1.00 0.00 0.00 57.85 53.78 1su8 n ARG 389 Cb 0.41 -1.74 -0.03 0.00 -1.05 0.00 0.00 32.46 30.06 1su8 n ARG 389 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1su8 s LYS 390 N -1.51 4.19 0.00 2.89 -2.85 -1.06 -1.50 119.74 119.90 1su8 s LYS 390 Ca 0.48 2.44 0.00 0.00 -1.00 0.00 0.00 55.97 57.89 1su8 s LYS 390 Cb 0.29 -3.10 0.00 0.00 -2.06 0.00 0.00 37.83 32.95 1su8 s LYS 390 CO 0.27 -0.60 0.00 0.41 0.10 0.00 0.00 175.35 175.53 1su8 n GLY 391 N 3.14 3.19 3.72 0.59 0.00 -1.26 -5.06 105.19 109.51 1su8 n GLY 391 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1su8 n GLY 391 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1su8 s LYS 392 N -0.71 4.44 0.62 1.61 1.02 -0.56 -5.01 119.74 121.15 1su8 s LYS 392 Ca 0.00 0.92 -0.19 0.00 0.02 0.00 0.00 55.97 56.73 1su8 s LYS 392 Cb 0.00 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 1su8 s LYS 392 CO 0.00 0.11 1.25 -1.25 -0.92 0.00 0.00 175.35 174.55 1su8 s PRO 393 N 0.61 2.79 0.28 -1.68 0.04 -1.26 -5.03 135.00 130.75 1su8 s PRO 393 Ca 0.38 1.96 0.05 0.00 0.04 0.00 0.00 61.00 63.43 1su8 s PRO 393 Cb -0.18 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 1su8 s PRO 393 CO 0.19 -1.39 -0.02 0.14 0.04 0.00 0.00 177.00 175.96 1su8 s VAL 394 N -1.48 1.44 -0.49 -0.36 -7.23 -1.26 -4.99 120.40 106.03 1su8 s VAL 394 Ca 0.80 -2.08 0.03 0.00 -1.81 0.00 0.00 61.98 58.92 1su8 s VAL 394 Cb -0.34 -2.49 0.14 0.00 0.56 0.00 0.00 36.38 34.25 1su8 s VAL 394 CO 0.37 -0.25 0.29 -0.70 -0.31 0.00 0.00 175.10 174.49 1su8 s GLU 395 N -3.78 1.57 -0.35 4.82 2.12 0.07 -5.05 118.70 118.09 1su8 s GLU 395 Ca 0.30 -2.33 -0.18 0.00 0.36 0.00 0.00 54.97 53.12 1su8 s GLU 395 Cb 0.05 -2.63 -0.00 0.00 0.26 0.00 0.00 34.13 31.81 1su8 s GLU 395 CO 0.12 -1.19 0.50 0.42 -0.54 0.00 0.00 175.26 174.57 1su8 s ILE 396 N -0.06 5.03 0.26 -3.70 1.01 -1.26 -4.37 121.20 118.10 1su8 s ILE 396 Ca 0.20 0.29 -0.31 0.00 0.00 0.00 0.00 60.65 60.83 1su8 s ILE 396 Cb -0.20 -3.96 -0.12 0.00 0.01 0.00 0.00 42.46 38.19 1su8 s ILE 396 CO -0.04 -0.22 1.54 -2.65 0.00 0.00 0.00 174.94 173.57 1su8 n PRO 397 N 5.72 2.45 -1.80 2.79 -0.02 -1.26 -4.83 135.00 138.04 1su8 n PRO 397 Ca -0.05 0.87 -0.40 0.00 -2.02 0.00 0.00 63.50 61.90 1su8 n PRO 397 Cb 0.49 -2.62 -0.01 0.00 -0.02 0.00 0.00 33.50 31.34 1su8 n PRO 397 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1su8 n ASN 398 N 2.35 8.17 -3.85 2.55 5.15 -1.26 -2.81 115.26 125.55 1su8 n ASN 398 Ca 0.11 -2.98 -0.26 0.00 -0.60 0.00 0.00 54.58 50.85 1su8 n ASN 398 Cb 0.34 -1.42 -0.17 0.00 -0.53 0.00 0.00 39.78 38.00 1su8 n ASN 398 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1su8 s ILE 399 N -0.13 0.81 0.14 -1.44 1.01 -1.26 -4.96 121.20 115.36 1su8 s ILE 399 Ca 0.58 -0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.85 1su8 s ILE 399 Cb 0.18 -0.91 0.04 0.00 0.01 0.00 0.00 42.46 41.78 1su8 s ILE 399 CO -0.08 0.29 0.45 -1.59 0.00 0.00 0.00 174.94 174.00 1su8 s LYS 400 N 1.79 1.14 0.26 2.79 -2.85 -1.26 -1.17 119.74 120.44 1su8 s LYS 400 Ca 0.04 -0.67 0.12 0.00 -1.00 0.00 0.00 55.97 54.46 1su8 s LYS 400 Cb -0.13 0.50 -0.05 0.00 -2.06 0.00 0.00 37.83 36.09 1su8 s LYS 400 CO -0.07 -0.46 -0.20 0.95 0.10 0.00 0.00 175.35 175.67 1su8 s THR 401 N -3.80 2.39 0.15 3.79 -4.23 -0.36 -4.94 115.64 108.65 1su8 s THR 401 Ca 0.03 -2.33 -0.26 0.00 -1.18 0.00 0.00 61.69 57.95 1su8 s THR 401 Cb 0.01 -2.25 -0.08 0.00 1.34 0.00 0.00 72.50 71.53 1su8 s THR 401 CO -0.12 -0.37 0.81 -0.75 -0.54 0.00 0.00 174.62 173.65 1su8 s LYS 402 N -3.39 4.60 -0.14 3.99 2.20 -1.26 -1.29 119.74 124.45 1su8 s LYS 402 Ca 0.28 1.20 -0.01 0.00 -0.36 0.00 0.00 55.97 57.08 1su8 s LYS 402 Cb -0.05 -3.29 0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1su8 s LYS 402 CO 0.13 0.50 -0.04 0.08 -0.36 0.00 0.00 175.35 175.66 1su8 s VAL 403 N -0.91 0.94 -0.16 4.02 1.01 0.08 -3.65 120.40 121.73 1su8 s VAL 403 Ca 0.37 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1su8 s VAL 403 Cb -0.23 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1su8 s VAL 403 CO 0.27 0.18 0.27 -0.69 0.00 0.00 0.00 175.10 175.13 1su8 s VAL 404 N 1.72 5.32 0.00 2.92 1.01 0.07 -0.03 120.40 131.40 1su8 s VAL 404 Ca 0.02 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1su8 s VAL 404 Cb -0.14 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1su8 s VAL 404 CO -0.08 0.41 0.00 0.00 0.00 0.00 0.00 175.10 175.43 1su8 n ALA 405 N 3.48 0.00 -0.66 5.51 0.00 0.01 -4.65 120.51 124.21 1su8 n ALA 405 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1su8 n ALA 405 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1su8 n ALA 405 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1su8 n GLY 406 N 0.00 0.62 2.73 0.00 0.00 -1.24 -1.04 105.19 106.26 1su8 n GLY 406 Ca 0.00 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1su8 n GLY 406 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1su8 n PHE 407 N -2.65 2.87 -0.58 1.61 3.01 -0.50 -3.12 117.46 118.11 1su8 n PHE 407 Ca 0.00 -2.83 -0.30 0.00 1.01 0.00 0.00 57.45 55.33 1su8 n PHE 407 Cb 0.01 -2.01 0.21 0.00 -0.01 0.00 0.00 39.48 37.69 1su8 n PHE 407 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1su8 n SER 408 N 3.56 -1.11 -0.16 4.37 3.41 -1.26 -4.20 113.62 118.24 1su8 n SER 408 Ca 0.48 0.08 -0.02 0.00 -0.26 0.00 0.00 58.87 59.15 1su8 n SER 408 Cb 0.33 -1.31 0.19 0.00 -0.26 0.00 0.00 64.21 63.17 1su8 n SER 408 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1su8 h THR 409 N -2.29 1.22 -0.82 6.66 2.02 -1.92 0.21 112.91 117.99 1su8 h THR 409 Ca -0.53 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 65.94 1su8 h THR 409 Cb 1.31 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1su8 h THR 409 CO 0.44 0.28 0.53 -0.33 0.37 0.00 0.00 175.52 176.82 1su8 h GLU 410 N 0.87 1.09 -0.55 6.66 3.07 -1.91 -0.31 114.58 123.51 1su8 h GLU 410 Ca 0.20 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 58.88 1su8 h GLU 410 Cb 0.20 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1su8 h GLU 410 CO -0.02 0.73 -0.10 0.00 -1.40 0.00 0.00 179.01 178.23 1su8 h ALA 411 N 1.29 0.79 -0.42 3.43 0.00 -1.51 0.17 119.26 123.01 1su8 h ALA 411 Ca 0.30 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1su8 h ALA 411 Cb -0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1su8 h ALA 411 CO -0.06 0.67 0.12 0.82 0.00 0.00 0.00 179.25 180.80 1su8 h ILE 412 N 0.91 1.22 -0.68 0.00 2.04 -0.61 -0.12 117.51 120.28 1su8 h ILE 412 Ca 0.14 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 1su8 h ILE 412 Cb 0.66 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1su8 h ILE 412 CO 0.05 0.26 0.36 0.40 0.00 0.00 0.00 178.15 179.22 1su8 h ILE 413 N 0.53 1.22 -0.71 -0.67 2.04 -0.91 -0.57 117.51 118.44 1su8 h ILE 413 Ca 0.13 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 1su8 h ILE 413 Cb 0.28 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1su8 h ILE 413 CO -0.00 0.24 0.29 -1.13 0.00 0.00 0.00 178.15 177.55 1su8 h ASN 414 N 0.94 0.98 -0.59 1.72 -1.24 -0.75 0.11 115.58 116.75 1su8 h ASN 414 Ca 0.24 -0.17 0.01 0.00 0.71 0.00 0.00 56.30 57.09 1su8 h ASN 414 Cb 0.06 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.83 1su8 h ASN 414 CO -0.04 0.88 0.38 0.00 -1.29 0.00 0.00 177.43 177.37 1su8 h ALA 415 N 1.14 0.76 -0.01 1.57 0.00 -0.63 -2.25 119.26 119.84 1su8 h ALA 415 Ca 0.24 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1su8 h ALA 415 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1su8 h ALA 415 CO -0.02 0.15 -0.40 -0.07 0.00 0.00 0.00 179.25 178.91 1su8 h LEU 416 N 0.77 0.03 -1.76 0.00 3.38 -0.75 -2.71 115.31 114.27 1su8 h LEU 416 Ca 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1su8 h LEU 416 Cb -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1su8 h LEU 416 CO -0.07 0.43 0.00 0.77 0.09 0.00 0.00 178.44 179.66 1su8 h SER 417 N 0.03 0.00 0.82 -0.43 4.64 -0.16 0.24 113.55 118.68 1su8 h SER 417 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1su8 h SER 417 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1su8 h SER 417 CO 0.05 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.12 1su8 h LYS 418 N 0.00 0.00 0.00 4.77 1.79 -1.40 -2.45 116.57 119.28 1su8 h LYS 418 Ca 0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1su8 h LYS 418 Cb 0.21 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1su8 h LYS 418 CO 0.00 0.00 -1.84 1.28 -1.08 0.00 0.00 179.45 177.81 1su8 n LEU 419 N -3.07 0.21 -3.21 2.94 4.77 0.04 -4.84 117.00 113.84 1su8 n LEU 419 Ca -0.00 0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 56.06 1su8 n LEU 419 Cb 0.26 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1su8 n LEU 419 CO 0.26 0.05 0.05 0.21 -1.33 0.00 0.00 177.39 176.62 1su8 s ASN 420 N -4.89 -1.02 0.19 -1.43 3.84 -1.02 -4.99 114.94 105.61 1su8 s ASN 420 Ca -0.07 -0.27 -0.09 0.00 0.21 0.00 0.00 52.86 52.64 1su8 s ASN 420 Cb 0.12 1.74 0.10 0.00 -0.55 0.00 0.00 41.25 42.65 1su8 s ASN 420 CO 0.87 -0.28 1.70 0.00 -2.79 0.00 0.00 177.10 176.60 1su8 h ALA 421 N 7.74 0.89 -0.34 1.71 0.00 -1.74 -3.00 119.26 124.52 1su8 h ALA 421 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1su8 h ALA 421 Cb 1.16 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1su8 h ALA 421 CO 0.17 0.62 0.00 0.09 0.00 0.00 0.00 179.25 180.12 1su8 n ASN 422 N -4.27 3.40 -3.00 0.00 3.02 -1.26 -4.48 115.26 108.66 1su8 n ASN 422 Ca 0.04 -1.99 -0.17 0.00 -0.03 0.00 0.00 54.58 52.43 1su8 n ASN 422 Cb 0.26 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.20 1su8 n ASN 422 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1su8 n ASP 423 N 1.46 -1.13 0.06 6.41 -0.08 -1.16 -5.02 116.55 117.10 1su8 n ASP 423 Ca 0.18 -2.96 0.02 0.00 -1.51 0.00 0.00 54.79 50.53 1su8 n ASP 423 Cb 0.60 0.41 0.39 0.00 2.34 0.00 0.00 41.12 44.86 1su8 n ASP 423 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1su8 h PRO 424 N 3.99 0.39 0.00 -0.67 0.11 -1.75 -1.49 132.00 132.57 1su8 h PRO 424 Ca -0.02 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1su8 h PRO 424 Cb 0.94 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1su8 h PRO 424 CO 0.40 0.40 0.00 -0.07 -0.21 0.00 0.00 178.00 178.53 1su8 h LEU 425 N 0.38 0.00 -0.63 2.35 3.38 -1.91 -3.31 115.31 115.57 1su8 h LEU 425 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1su8 h LEU 425 Cb 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1su8 h LEU 425 CO 0.00 0.00 0.39 0.50 0.09 0.00 0.00 178.44 179.42 1su8 h LYS 426 N 0.00 0.84 -0.71 1.13 3.64 -1.64 -1.46 116.57 118.37 1su8 h LYS 426 Ca 0.00 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1su8 h LYS 426 Cb 0.65 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1su8 h LYS 426 CO 0.00 0.59 0.47 -1.35 -2.27 0.00 0.00 179.45 176.89 1su8 h PRO 427 N 0.85 0.86 -0.10 1.90 0.10 -1.73 0.56 132.00 134.45 1su8 h PRO 427 Ca 0.23 -0.05 -0.01 0.00 0.10 0.00 0.00 66.00 66.26 1su8 h PRO 427 Cb -0.05 -0.19 -0.00 0.00 0.10 0.00 0.00 31.00 30.86 1su8 h PRO 427 CO -0.04 0.57 0.02 1.25 0.10 0.00 0.00 178.00 179.90 1su8 h LEU 428 N 0.89 0.15 -0.85 2.35 5.85 -1.55 -2.44 115.31 119.72 1su8 h LEU 428 Ca 0.28 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1su8 h LEU 428 Cb 0.01 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1su8 h LEU 428 CO -0.07 0.35 0.30 0.40 -0.34 0.00 0.00 178.44 179.07 1su8 h ILE 429 N -0.06 1.26 -0.85 4.05 2.04 -0.59 -0.73 117.51 122.64 1su8 h ILE 429 Ca 0.03 -0.82 0.14 0.00 1.00 0.00 0.00 64.86 65.21 1su8 h ILE 429 Cb 0.26 0.35 -0.09 0.00 -0.74 0.00 0.00 36.82 36.60 1su8 h ILE 429 CO 0.00 0.33 0.45 0.44 0.00 0.00 0.00 178.15 179.37 1su8 h ASP 430 N 1.12 0.57 1.67 1.72 3.32 0.17 0.13 116.42 125.12 1su8 h ASP 430 Ca 0.26 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.33 1su8 h ASP 430 Cb 0.22 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1su8 h ASP 430 CO -0.02 0.26 -0.27 0.78 -1.72 0.00 0.00 179.24 178.28 1su8 h ASN 431 N 0.67 0.00 -0.36 6.45 2.35 -0.88 0.72 115.58 124.52 1su8 h ASN 431 Ca 0.45 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.14 1su8 h ASN 431 Cb 0.59 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1su8 h ASN 431 CO -0.34 0.27 -0.00 0.58 -1.65 0.00 0.00 177.43 176.29 1su8 h VAL 432 N 0.00 1.26 -0.41 2.81 2.07 -0.36 0.35 116.25 121.96 1su8 h VAL 432 Ca -0.00 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 1su8 h VAL 432 Cb 1.17 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1su8 h VAL 432 CO 0.03 0.33 0.03 0.58 0.02 0.00 0.00 177.57 178.56 1su8 h VAL 433 N 0.45 1.25 -0.00 2.57 2.07 -0.72 -2.54 116.25 119.34 1su8 h VAL 433 Ca 0.10 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1su8 h VAL 433 Cb 0.46 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1su8 h VAL 433 CO 0.02 0.33 -0.02 -0.46 0.02 0.00 0.00 177.57 177.46 1su8 n ASN 434 N -4.46 0.22 0.00 0.57 0.23 0.22 -4.78 115.26 107.27 1su8 n ASN 434 Ca -0.01 -0.80 0.00 0.00 -0.53 0.00 0.00 54.58 53.24 1su8 n ASN 434 Cb 0.27 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 1su8 n ASN 434 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1su8 n GLY 435 N 1.12 0.88 0.24 4.83 0.00 -0.82 -4.91 105.19 106.54 1su8 n GLY 435 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 1su8 n GLY 435 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1su8 h ASN 436 N 0.00 0.00 -3.47 1.61 -0.26 -1.58 -3.36 115.58 108.51 1su8 h ASN 436 Ca 0.00 0.00 -0.67 0.00 -0.56 0.00 0.00 56.30 55.07 1su8 h ASN 436 Cb 0.00 0.00 -0.35 0.00 -1.06 0.00 0.00 38.32 36.91 1su8 h ASN 436 CO 0.00 0.15 -0.82 -0.63 -1.06 0.00 0.00 177.43 175.07 1su8 s ILE 437 N -4.49 2.24 0.10 2.81 -1.09 0.02 -2.10 121.20 118.71 1su8 s ILE 437 Ca -0.04 -1.25 -0.14 0.00 -2.23 0.00 0.00 60.65 57.00 1su8 s ILE 437 Cb 0.15 -2.14 -0.10 0.00 -1.58 0.00 0.00 42.46 38.79 1su8 s ILE 437 CO 0.65 0.24 1.38 -0.09 -1.23 0.00 0.00 174.94 175.89 1su8 h ARG 438 N 7.88 0.77 0.00 2.79 2.43 -1.01 -3.34 114.38 123.90 1su8 h ARG 438 Ca -0.32 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.36 1su8 h ARG 438 Cb 1.09 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1su8 h ARG 438 CO 0.55 1.11 0.00 0.41 -1.51 0.00 0.00 179.97 180.53 1su8 n GLY 439 N 0.36 0.85 3.17 2.80 0.00 -1.26 -4.91 105.19 106.19 1su8 n GLY 439 Ca -0.05 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 1su8 n GLY 439 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1su8 s VAL 440 N -2.14 1.47 -0.09 1.61 1.01 -0.12 -0.80 120.40 121.35 1su8 s VAL 440 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1su8 s VAL 440 Cb 0.00 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1su8 s VAL 440 CO 0.00 0.42 -0.14 0.00 0.00 0.00 0.00 175.10 175.38 1su8 s LEU 442 N 0.82 4.16 -0.10 0.00 2.96 -0.43 -0.98 118.68 125.11 1su8 s LEU 442 Ca -0.11 0.18 -0.19 0.00 -0.22 0.00 0.00 54.13 53.79 1su8 s LEU 442 Cb -0.15 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1su8 s LEU 442 CO 0.02 -0.28 0.50 -0.36 -1.32 0.00 0.00 176.35 174.91 1su8 s PHE 443 N 2.17 3.55 0.15 5.38 0.08 -0.05 -0.43 117.98 128.82 1su8 s PHE 443 Ca 0.16 0.96 -0.03 0.00 0.12 0.00 0.00 56.93 58.14 1su8 s PHE 443 Cb -0.16 -2.57 -0.03 0.00 -0.57 0.00 0.00 43.02 39.69 1su8 s PHE 443 CO 0.11 0.20 0.13 0.00 -0.10 0.00 0.00 175.22 175.56 1su8 s ALA 444 N 0.47 0.72 0.00 5.36 0.00 -0.51 -1.48 121.76 126.33 1su8 s ALA 444 Ca 0.27 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1su8 s ALA 444 Cb -0.16 0.98 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1su8 s ALA 444 CO 0.12 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1su8 n GLY 445 N -0.16 -1.91 3.96 0.00 0.00 -1.26 -3.96 105.19 101.86 1su8 n GLY 445 Ca -0.04 -1.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.16 1su8 n GLY 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su8 s ASN 447 N -4.76 5.85 -0.06 0.00 0.01 -1.24 -3.87 114.94 110.88 1su8 s ASN 447 Ca 0.68 0.24 -0.03 0.00 -0.71 0.00 0.00 52.86 53.04 1su8 s ASN 447 Cb -0.05 -1.51 0.03 0.00 0.41 0.00 0.00 41.25 40.13 1su8 s ASN 447 CO 0.47 -0.67 0.13 0.21 -1.51 0.00 0.00 177.10 175.73 1su8 s ASN 448 N -4.21 -0.09 0.54 -1.22 3.84 -1.11 -4.44 114.94 108.25 1su8 s ASN 448 Ca 0.48 0.25 0.34 0.00 0.21 0.00 0.00 52.86 54.14 1su8 s ASN 448 Cb -0.10 0.16 1.84 0.00 -0.55 0.00 0.00 41.25 42.60 1su8 s ASN 448 CO 0.37 -0.13 2.03 1.62 -2.79 0.00 0.00 177.10 178.20 1su8 h VAL 449 N 5.93 0.00 0.00 -5.21 3.04 -1.95 -0.07 116.25 117.99 1su8 h VAL 449 Ca -0.41 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1su8 h VAL 449 Cb 1.15 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1su8 h VAL 449 CO 0.43 0.00 0.00 0.11 -1.01 0.00 0.00 177.57 177.10 1su8 h LYS 450 N 0.00 0.00 -5.38 4.17 1.57 -1.98 -3.43 116.57 111.52 1su8 h LYS 450 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1su8 h LYS 450 Cb 0.14 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.19 1su8 h LYS 450 CO 0.00 0.00 -0.75 0.08 -0.57 0.00 0.00 179.45 178.21 1su8 s VAL 451 N -3.50 3.21 -0.02 0.50 1.01 -0.04 -5.07 120.40 116.50 1su8 s VAL 451 Ca 0.03 -0.61 -0.36 0.00 0.00 0.00 0.00 61.98 61.04 1su8 s VAL 451 Cb 0.08 -2.35 -0.15 0.00 0.00 0.00 0.00 36.38 33.96 1su8 s VAL 451 CO 0.55 0.52 1.59 -2.65 0.00 0.00 0.00 175.10 175.11 1su8 n PRO 452 N 3.43 1.56 -1.68 2.72 -0.02 -1.26 -4.63 135.00 135.12 1su8 n PRO 452 Ca -0.18 0.57 -0.45 0.00 -2.02 0.00 0.00 63.50 61.41 1su8 n PRO 452 Cb 0.53 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.68 1su8 n PRO 452 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1su8 n GLN 453 N 4.14 2.34 -0.24 -0.52 7.27 -0.30 -1.40 117.38 128.67 1su8 n GLN 453 Ca 0.21 0.85 0.00 0.00 0.07 0.00 0.00 57.00 58.13 1su8 n GLN 453 Cb 0.22 -2.67 0.00 0.00 2.41 0.00 0.00 30.24 30.20 1su8 n GLN 453 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1su8 n ASP 454 N 4.60 0.00 -0.33 1.69 8.00 -1.26 -1.69 116.55 127.55 1su8 n ASP 454 Ca 0.18 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.66 1su8 n ASP 454 Cb 0.31 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.54 1su8 n ASP 454 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1su8 h GLN 455 N 2.39 1.24 -0.04 -1.24 4.15 -1.57 -0.72 115.11 119.32 1su8 h GLN 455 Ca 0.00 -0.10 -0.13 0.00 0.77 0.00 0.00 58.65 59.19 1su8 h GLN 455 Cb 0.00 -0.27 0.01 0.00 0.21 0.00 0.00 27.48 27.43 1su8 h GLN 455 CO 0.00 0.86 -0.47 -0.91 -1.93 0.00 0.00 178.83 176.38 1su8 h ASN 456 N 1.27 0.49 -0.41 -0.69 2.35 -1.88 -1.75 115.58 114.95 1su8 h ASN 456 Ca 0.33 -0.70 0.06 0.00 -0.55 0.00 0.00 56.30 55.44 1su8 h ASN 456 Cb -0.08 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.09 1su8 h ASN 456 CO -0.07 1.12 0.09 -0.26 -1.65 0.00 0.00 177.43 176.66 1su8 h PHE 457 N -0.10 0.15 0.02 1.19 -1.00 -1.80 -0.72 116.94 114.68 1su8 h PHE 457 Ca -0.05 0.02 -0.23 0.00 2.81 0.00 0.00 57.97 60.53 1su8 h PHE 457 Cb 1.15 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.71 1su8 h PHE 457 CO 0.14 0.02 -0.98 1.79 -1.61 0.00 0.00 178.31 177.67 1su8 h THR 458 N 0.23 1.41 -0.21 -1.55 1.35 -1.18 -0.24 112.91 112.72 1su8 h THR 458 Ca 0.20 -2.52 -0.01 0.00 -0.55 0.00 0.00 66.41 63.52 1su8 h THR 458 Cb 0.23 2.48 -0.01 0.00 -1.73 0.00 0.00 68.15 69.13 1su8 h THR 458 CO -0.25 0.75 0.08 0.74 -0.25 0.00 0.00 175.52 176.59 1su8 h THR 459 N 0.21 1.17 -0.20 6.82 2.02 -1.13 -0.61 112.91 121.19 1su8 h THR 459 Ca -0.09 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.52 1su8 h THR 459 Cb 1.62 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 1su8 h THR 459 CO 0.17 0.17 -0.06 0.40 0.37 0.00 0.00 175.52 176.57 1su8 h ILE 460 N 0.18 1.29 -0.80 3.11 2.04 -1.14 -2.89 117.51 119.31 1su8 h ILE 460 Ca 0.07 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 1su8 h ILE 460 Cb 0.19 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1su8 h ILE 460 CO -0.00 0.32 0.40 0.00 0.00 0.00 0.00 178.15 178.87 1su8 h ALA 461 N 0.73 1.03 -0.57 1.87 0.00 -0.97 -1.40 119.26 119.96 1su8 h ALA 461 Ca 0.05 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1su8 h ALA 461 Cb 0.51 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1su8 h ALA 461 CO 0.02 0.58 0.34 0.00 0.00 0.00 0.00 179.25 180.18 1su8 h ARG 462 N 1.13 0.64 -0.50 0.00 3.08 -1.04 0.32 114.38 118.00 1su8 h ARG 462 Ca 0.28 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 1su8 h ARG 462 Cb 0.09 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1su8 h ARG 462 CO -0.04 0.42 0.13 -0.22 -1.07 0.00 0.00 179.97 179.20 1su8 h LYS 463 N 0.66 0.79 -0.43 0.04 1.63 -1.19 -2.31 116.57 115.76 1su8 h LYS 463 Ca 0.23 -0.18 -0.12 0.00 -0.85 0.00 0.00 60.65 59.72 1su8 h LYS 463 Cb 0.05 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 1su8 h LYS 463 CO -0.11 0.76 -0.22 -0.07 -3.45 0.00 0.00 179.45 176.36 1su8 h LEU 464 N 0.68 0.94 -1.00 5.20 3.38 -0.95 -2.56 115.31 121.00 1su8 h LEU 464 Ca 0.16 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1su8 h LEU 464 Cb 0.31 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1su8 h LEU 464 CO -0.00 1.14 0.06 -0.07 0.09 0.00 0.00 178.44 179.66 1su8 h LEU 465 N 0.73 0.74 -1.67 1.67 3.38 -0.88 -1.01 115.31 118.28 1su8 h LEU 465 Ca 0.09 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1su8 h LEU 465 Cb 0.79 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1su8 h LEU 465 CO 0.07 0.77 -0.18 0.11 0.09 0.00 0.00 178.44 179.30 1su8 h LYS 466 N 0.75 0.00 -0.67 1.13 1.79 -1.26 -0.09 116.57 118.21 1su8 h LYS 466 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1su8 h LYS 466 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1su8 h LYS 466 CO 0.01 0.18 0.00 1.04 -1.08 0.00 0.00 179.45 179.59 1su8 n GLN 467 N -3.69 3.77 -2.09 3.15 1.13 -0.53 -3.99 117.38 115.13 1su8 n GLN 467 Ca -0.02 -2.35 -0.11 0.00 -1.94 0.00 0.00 57.00 52.59 1su8 n GLN 467 Cb 0.29 -2.01 -0.01 0.00 0.11 0.00 0.00 30.24 28.62 1su8 n GLN 467 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1su8 n ASN 468 N 0.55 -3.72 -4.74 1.08 3.02 -0.69 -4.48 115.26 106.29 1su8 n ASN 468 Ca 0.21 0.03 -0.40 0.00 -0.03 0.00 0.00 54.58 54.38 1su8 n ASN 468 Cb 0.91 -2.85 -0.05 0.00 -0.61 0.00 0.00 39.78 37.19 1su8 n ASN 468 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1su8 s VAL 469 N -2.53 4.71 -0.22 2.41 1.01 -0.50 -0.60 120.40 124.68 1su8 s VAL 469 Ca 0.00 1.77 -0.29 0.00 0.00 0.00 0.00 61.98 63.46 1su8 s VAL 469 Cb 0.00 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1su8 s VAL 469 CO 0.00 0.32 1.32 -0.22 0.00 0.00 0.00 175.10 176.52 1su8 s LEU 470 N 0.12 4.04 -0.18 3.92 2.96 0.02 -4.44 118.68 125.12 1su8 s LEU 470 Ca 0.42 1.50 -0.05 0.00 -0.22 0.00 0.00 54.13 55.78 1su8 s LEU 470 Cb -0.21 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 1su8 s LEU 470 CO 0.25 -0.94 0.01 -0.69 -1.32 0.00 0.00 176.35 173.66 1su8 s VAL 471 N 4.02 4.22 0.24 1.68 1.01 -1.26 -1.12 120.40 129.19 1su8 s VAL 471 Ca 0.57 -0.23 0.11 0.00 0.00 0.00 0.00 61.98 62.43 1su8 s VAL 471 Cb -0.20 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 1su8 s VAL 471 CO 0.20 0.46 -0.20 0.68 0.00 0.00 0.00 175.10 176.23 1su8 s VAL 472 N 0.60 2.29 0.00 2.92 -7.23 -0.16 -1.39 120.40 117.43 1su8 s VAL 472 Ca 0.00 -2.24 -0.19 0.00 -1.81 0.00 0.00 61.98 57.75 1su8 s VAL 472 Cb -0.14 -2.17 0.04 0.00 0.56 0.00 0.00 36.38 34.66 1su8 s VAL 472 CO 0.02 -0.34 0.41 0.00 -0.31 0.00 0.00 175.10 174.88 1su8 s ALA 473 N -2.30 -1.02 0.19 1.32 0.00 -0.39 -0.88 121.76 118.68 1su8 s ALA 473 Ca 0.25 0.47 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 1su8 s ALA 473 Cb -0.05 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1su8 s ALA 473 CO 0.12 -0.36 0.10 0.95 0.00 0.00 0.00 175.76 176.57 1su8 s THR 474 N -1.79 0.12 0.00 0.00 -4.23 -0.55 -0.77 115.64 108.42 1su8 s THR 474 Ca -0.10 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1su8 s THR 474 Cb -0.02 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1su8 s THR 474 CO 0.02 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1su8 n GLY 475 N -0.26 2.50 0.01 3.99 0.00 0.30 -1.12 105.19 110.62 1su8 n GLY 475 Ca -0.00 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.83 1su8 n GLY 475 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su8 h GLY 477 N 5.00 0.05 0.50 0.00 0.00 -0.16 0.38 103.07 108.85 1su8 h GLY 477 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 47.33 47.38 1su8 h GLY 477 CO 0.00 0.05 0.59 0.00 0.00 0.00 0.00 176.54 177.19 1su8 h ALA 478 N 0.48 1.42 -0.39 3.60 0.00 -0.80 -1.28 119.26 122.29 1su8 h ALA 478 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1su8 h ALA 478 Cb 0.56 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1su8 h ALA 478 CO 0.01 0.21 0.25 0.78 0.00 0.00 0.00 179.25 180.50 1su8 h GLY 479 N 0.96 0.56 0.99 0.00 0.00 -0.95 0.24 103.07 104.87 1su8 h GLY 479 Ca 0.47 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1su8 h GLY 479 CO -0.26 0.21 0.13 0.00 0.00 0.00 0.00 176.54 176.63 1su8 h ALA 480 N 1.13 0.25 -0.39 3.60 0.00 -0.56 -1.66 119.26 121.62 1su8 h ALA 480 Ca 0.14 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1su8 h ALA 480 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1su8 h ALA 480 CO -0.03 -0.26 -0.29 -0.07 0.00 0.00 0.00 179.25 178.60 1su8 h LEU 481 N 0.26 0.87 -0.77 0.00 3.38 -1.00 -2.76 115.31 115.29 1su8 h LEU 481 Ca 0.07 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1su8 h LEU 481 Cb -0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1su8 h LEU 481 CO -0.01 1.10 0.29 0.00 0.09 0.00 0.00 178.44 179.91 1su8 h MET 482 N 0.71 1.16 0.00 1.13 -0.00 -0.37 -0.91 114.93 116.65 1su8 h MET 482 Ca 0.08 -0.22 0.00 0.00 -0.00 0.00 0.00 59.70 59.56 1su8 h MET 482 Cb 0.84 -0.18 0.00 0.00 -0.00 0.00 0.00 31.60 32.26 1su8 h MET 482 CO 0.07 0.96 0.00 0.54 -0.00 0.00 0.00 176.91 178.48 1su8 n ARG 483 N -4.29 0.08 -0.35 -0.10 1.74 -0.64 -2.03 116.66 111.07 1su8 n ARG 483 Ca 0.07 0.26 0.07 0.00 -0.77 0.00 0.00 57.85 57.48 1su8 n ARG 483 Cb 0.20 -1.64 0.22 0.00 -1.02 0.00 0.00 32.46 30.23 1su8 n ARG 483 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1su8 n HIS 484 N -1.78 0.79 -0.45 -1.55 8.25 -0.91 -4.82 115.22 114.76 1su8 n HIS 484 Ca 0.04 -0.69 0.00 0.00 -0.26 0.00 0.00 57.72 56.80 1su8 n HIS 484 Cb 0.23 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1su8 n HIS 484 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1su8 n GLY 485 N 0.06 0.77 0.00 -1.41 0.00 -0.86 -4.94 105.19 98.80 1su8 n GLY 485 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.34 1su8 n GLY 485 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1su8 n PHE 486 N -2.37 0.00 -0.71 1.61 3.01 -0.40 -2.15 117.46 116.45 1su8 n PHE 486 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 1su8 n PHE 486 Cb 0.00 -0.27 0.26 0.00 -0.01 0.00 0.00 39.48 39.47 1su8 n PHE 486 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1su8 n MET 487 N -1.27 3.23 -3.73 -1.08 2.81 -1.26 -1.71 117.12 114.12 1su8 n MET 487 Ca 0.15 -2.68 -0.37 0.00 -1.81 0.00 0.00 57.70 52.99 1su8 n MET 487 Cb 0.23 -1.74 -0.12 0.00 -0.71 0.00 0.00 33.22 30.87 1su8 n MET 487 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1su8 s ASP 488 N -1.41 5.24 0.59 7.83 -1.08 -0.92 -0.75 116.67 126.16 1su8 s ASP 488 Ca 0.40 -0.45 0.39 0.00 -0.52 0.00 0.00 52.55 52.37 1su8 s ASP 488 Cb 0.29 -1.93 2.14 0.00 -1.46 0.00 0.00 42.92 41.96 1su8 s ASP 488 CO 0.14 -0.13 2.21 -0.65 0.52 0.00 0.00 175.17 177.26 1su8 h PRO 489 N 8.27 0.00 0.00 4.34 0.11 -1.87 -0.06 132.00 142.79 1su8 h PRO 489 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1su8 h PRO 489 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1su8 h PRO 489 CO 0.60 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 1su8 h ALA 490 N 2.00 1.00 -0.51 -0.75 0.00 -1.93 -2.33 119.26 116.74 1su8 h ALA 490 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1su8 h ALA 490 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1su8 h ALA 490 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1su8 n ASN 491 N -2.68 3.37 -0.21 0.00 5.03 -0.04 -4.50 115.26 116.24 1su8 n ASN 491 Ca -0.01 -1.97 -0.05 0.00 0.87 0.00 0.00 54.58 53.41 1su8 n ASN 491 Cb 0.12 -0.34 0.04 0.00 -1.02 0.00 0.00 39.78 38.59 1su8 n ASN 491 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1su8 h VAL 492 N 4.02 1.11 -0.84 2.41 2.07 -1.56 -1.47 116.25 121.99 1su8 h VAL 492 Ca 0.00 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1su8 h VAL 492 Cb 0.90 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1su8 h VAL 492 CO 0.00 0.14 0.55 0.44 0.02 0.00 0.00 177.57 178.71 1su8 h ASP 493 N 0.76 0.92 -0.45 0.57 3.32 -1.83 -0.05 116.42 119.67 1su8 h ASP 493 Ca 0.23 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 1su8 h ASP 493 Cb -0.04 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1su8 h ASP 493 CO -0.07 0.64 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.00 1su8 h GLU 494 N 1.08 0.79 0.00 3.56 4.81 -1.80 -3.37 114.58 119.65 1su8 h GLU 494 Ca 0.33 -0.26 -0.32 0.00 -0.13 0.00 0.00 59.36 58.98 1su8 h GLU 494 Cb -0.04 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.21 1su8 h GLU 494 CO -0.10 0.86 -1.97 1.28 -0.73 0.00 0.00 179.01 178.35 1su8 n LEU 495 N -4.38 0.52 -4.88 1.64 4.77 -0.58 -4.98 117.00 109.12 1su8 n LEU 495 Ca -0.00 0.25 -0.35 0.00 -0.03 0.00 0.00 56.01 55.88 1su8 n LEU 495 Cb 0.31 0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 1su8 n LEU 495 CO 0.42 0.42 -0.17 0.00 -1.33 0.00 0.00 177.39 176.72 1su8 s GLY 497 N -1.60 1.64 0.30 0.00 0.00 -0.13 -4.68 107.32 102.84 1su8 s GLY 497 Ca 0.23 0.27 -0.01 0.00 0.00 0.00 0.00 44.72 45.21 1su8 s GLY 497 CO 0.13 0.77 1.88 -0.55 0.00 0.00 0.00 173.10 175.33 1su8 h ASP 498 N -1.95 0.78 -0.06 1.64 3.32 -1.90 0.07 116.42 118.31 1su8 h ASP 498 Ca -0.49 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.45 1su8 h ASP 498 Cb 1.28 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1su8 h ASP 498 CO 0.47 0.71 0.01 1.23 -1.72 0.00 0.00 179.24 179.93 1su8 h GLY 499 N 0.96 0.11 0.99 2.75 0.00 -1.92 -0.57 103.07 105.40 1su8 h GLY 499 Ca 0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1su8 h GLY 499 CO -0.02 0.07 0.27 -2.00 0.00 0.00 0.00 176.54 174.86 1su8 h LEU 500 N -0.14 0.79 -0.77 3.11 5.85 -1.17 -1.78 115.31 121.19 1su8 h LEU 500 Ca 0.02 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.65 1su8 h LEU 500 Cb 0.28 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 1su8 h LEU 500 CO 0.00 0.71 0.47 0.50 -0.34 0.00 0.00 178.44 179.78 1su8 h LYS 501 N 0.81 0.85 -0.87 1.25 3.64 -0.87 0.12 116.57 121.50 1su8 h LYS 501 Ca 0.20 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1su8 h LYS 501 Cb 0.14 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1su8 h LYS 501 CO -0.02 0.56 0.55 0.00 -2.27 0.00 0.00 179.45 178.27 1su8 h ALA 502 N 1.36 1.11 -0.10 5.00 0.00 -0.57 0.49 119.26 126.54 1su8 h ALA 502 Ca 0.33 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1su8 h ALA 502 Cb 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1su8 h ALA 502 CO -0.16 0.54 -0.25 0.28 0.00 0.00 0.00 179.25 179.67 1su8 h VAL 503 N 1.19 1.39 -0.78 0.00 2.07 -0.47 0.84 116.25 120.49 1su8 h VAL 503 Ca 0.32 -1.56 0.04 0.00 0.82 0.00 0.00 66.70 66.32 1su8 h VAL 503 Cb -0.09 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1su8 h VAL 503 CO -0.06 0.45 0.51 -0.07 0.02 0.00 0.00 177.57 178.42 1su8 h LEU 504 N -0.10 0.81 -0.18 2.57 3.38 -0.67 -0.07 115.31 121.04 1su8 h LEU 504 Ca -0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1su8 h LEU 504 Cb 0.85 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1su8 h LEU 504 CO 0.05 0.55 -0.31 0.74 0.09 0.00 0.00 178.44 179.56 1su8 h THR 505 N 0.93 1.34 -0.57 0.22 2.02 -0.79 -0.98 112.91 115.08 1su8 h THR 505 Ca 0.31 -1.54 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 1su8 h THR 505 Cb 0.08 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 1su8 h THR 505 CO -0.09 0.47 0.36 0.00 0.37 0.00 0.00 175.52 176.62 1su8 h ALA 506 N 0.59 0.73 -0.29 6.16 0.00 -0.39 0.31 119.26 126.38 1su8 h ALA 506 Ca 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1su8 h ALA 506 Cb 0.90 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1su8 h ALA 506 CO 0.07 0.20 0.05 0.82 0.00 0.00 0.00 179.25 180.38 1su8 h ILE 507 N 0.77 1.23 -0.50 0.00 2.04 -1.02 -1.94 117.51 118.09 1su8 h ILE 507 Ca 0.21 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1su8 h ILE 507 Cb -0.04 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1su8 h ILE 507 CO -0.04 0.26 0.27 1.23 0.00 0.00 0.00 178.15 179.87 1su8 h GLY 508 N 0.30 0.76 1.35 5.37 0.00 -0.91 -1.54 103.07 108.40 1su8 h GLY 508 Ca 0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1su8 h GLY 508 CO 0.01 0.33 0.25 0.83 0.00 0.00 0.00 176.54 177.96 1su8 h GLU 509 N 0.67 0.84 0.00 4.80 5.08 -0.29 -1.27 114.58 124.40 1su8 h GLU 509 Ca 0.18 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1su8 h GLU 509 Cb 0.06 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1su8 h GLU 509 CO -0.03 0.67 0.00 0.00 -1.00 0.00 0.00 179.01 178.66 1su8 h ALA 510 N 1.45 1.00 -0.44 3.43 0.00 -0.88 -0.73 119.26 123.09 1su8 h ALA 510 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1su8 h ALA 510 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1su8 h ALA 510 CO -0.02 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.32 1su8 n ASN 511 N -2.93 2.85 0.00 0.00 4.13 -0.60 -4.89 115.26 113.81 1su8 n ASN 511 Ca 0.02 -1.94 0.00 0.00 1.68 0.00 0.00 54.58 54.33 1su8 n ASN 511 Cb 0.33 -0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 1su8 n ASN 511 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1su8 n GLY 512 N 1.37 0.46 0.23 7.41 0.00 -0.28 -4.93 105.19 109.44 1su8 n GLY 512 Ca 0.18 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.87 1su8 n GLY 512 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1su8 h LEU 513 N 0.00 0.00 0.03 0.99 3.38 -1.44 -3.46 115.31 114.81 1su8 h LEU 513 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1su8 h LEU 513 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1su8 h LEU 513 CO 0.00 0.05 -0.01 0.61 0.09 0.00 0.00 178.44 179.18 1su8 n GLY 514 N 0.77 0.35 1.71 0.83 0.00 -1.26 -4.89 105.19 102.71 1su8 n GLY 514 Ca 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.01 1su8 n GLY 514 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1su8 n GLY 515 N -1.45 0.51 3.88 -0.02 0.00 -1.26 -5.01 105.19 101.84 1su8 n GLY 515 Ca -0.01 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 1su8 n GLY 515 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1su8 s PRO 516 N -2.01 3.29 0.95 1.61 0.04 -1.26 -3.21 135.00 134.41 1su8 s PRO 516 Ca 0.13 0.50 -0.11 0.00 0.04 0.00 0.00 61.00 61.56 1su8 s PRO 516 Cb -0.00 -2.12 0.12 0.00 0.04 0.00 0.00 34.50 32.53 1su8 s PRO 516 CO -0.00 -0.68 0.86 1.28 0.04 0.00 0.00 177.00 178.50 1su8 n LEU 517 N -2.74 1.69 -4.70 -3.56 4.77 -0.80 -4.79 117.00 106.86 1su8 n LEU 517 Ca 0.05 0.34 -0.29 0.00 -0.03 0.00 0.00 56.01 56.08 1su8 n LEU 517 Cb 0.56 -1.36 0.16 0.00 -2.33 0.00 0.00 43.42 40.45 1su8 n LEU 517 CO 0.57 -2.75 0.65 -2.16 -1.33 0.00 0.00 177.39 172.37 1su8 s PRO 518 N -4.26 0.70 0.37 3.23 0.04 -1.26 -4.72 135.00 129.10 1su8 s PRO 518 Ca 0.63 0.57 0.05 0.00 0.04 0.00 0.00 61.00 62.29 1su8 s PRO 518 Cb -0.22 -1.76 0.71 0.00 0.04 0.00 0.00 34.50 33.26 1su8 s PRO 518 CO 0.62 -2.56 1.99 -1.35 0.04 0.00 0.00 177.00 175.74 1su8 h PRO 519 N -1.77 0.64 -5.32 0.56 0.11 -1.78 -3.41 132.00 121.03 1su8 h PRO 519 Ca -0.53 -0.06 -0.55 0.00 0.11 0.00 0.00 66.00 64.96 1su8 h PRO 519 Cb 1.32 -0.13 -0.31 0.00 0.11 0.00 0.00 31.00 31.99 1su8 h PRO 519 CO 0.57 0.48 -0.83 0.08 -0.21 0.00 0.00 178.00 178.09 1su8 s VAL 520 N -5.42 1.39 -0.30 3.15 1.01 -0.69 -4.49 120.40 115.05 1su8 s VAL 520 Ca -0.09 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1su8 s VAL 520 Cb 0.17 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1su8 s VAL 520 CO 0.75 0.40 0.40 -0.76 0.00 0.00 0.00 175.10 175.90 1su8 s LEU 521 N -0.01 4.16 -0.44 3.92 1.43 -0.49 -4.64 118.68 122.62 1su8 s LEU 521 Ca -0.02 0.15 -0.28 0.00 -1.03 0.00 0.00 54.13 52.95 1su8 s LEU 521 Cb -0.11 -2.45 0.03 0.00 0.03 0.00 0.00 46.19 43.69 1su8 s LEU 521 CO 0.02 -0.27 1.08 -2.28 0.23 0.00 0.00 176.35 175.13 1su8 s HIS 522 N 2.13 2.92 -2.86 0.29 5.65 -1.26 -1.26 115.29 120.89 1su8 s HIS 522 Ca 0.15 0.77 0.25 0.00 0.25 0.00 0.00 55.06 56.48 1su8 s HIS 522 Cb -0.16 -4.16 0.38 0.00 -1.18 0.00 0.00 32.58 27.46 1su8 s HIS 522 CO 0.11 -1.11 1.37 -1.33 -0.65 0.00 0.00 174.74 173.12 1su8 n MET 523 N 7.47 2.20 0.00 2.88 2.81 0.05 -1.41 117.12 131.12 1su8 n MET 523 Ca 0.11 -1.75 0.00 0.00 -1.81 0.00 0.00 57.70 54.25 1su8 n MET 523 Cb 0.48 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 1su8 n MET 523 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1su8 n GLY 524 N 1.32 0.52 3.66 3.03 0.00 -1.25 -4.69 105.19 107.77 1su8 n GLY 524 Ca 0.15 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 1su8 n GLY 524 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1su8 n SER 525 N 0.00 -1.29 -0.05 1.61 3.41 -1.26 -0.54 113.62 115.50 1su8 n SER 525 Ca 0.00 -1.29 -0.06 0.00 -0.26 0.00 0.00 58.87 57.27 1su8 n SER 525 Cb 0.00 -1.02 0.14 0.00 -0.26 0.00 0.00 64.21 63.08 1su8 n SER 525 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1su8 h VAL 527 N 0.59 1.08 0.00 0.00 -1.51 -1.93 -0.41 116.25 114.06 1su8 h VAL 527 Ca 0.09 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 1su8 h VAL 527 Cb 0.67 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 1su8 h VAL 527 CO 0.05 0.10 0.00 0.47 -1.23 0.00 0.00 177.57 176.96 1su8 n ASP 528 N -4.43 0.00 0.12 4.19 10.43 -0.41 -0.97 116.55 125.49 1su8 n ASP 528 Ca -0.02 -0.70 0.19 0.00 2.57 0.00 0.00 54.79 56.82 1su8 n ASP 528 Cb 0.16 0.00 0.77 0.00 1.84 0.00 0.00 41.12 43.88 1su8 n ASP 528 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 1su8 h ASN 529 N 0.00 0.00 0.06 -2.24 2.35 -0.92 0.17 115.58 115.00 1su8 h ASN 529 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1su8 h ASN 529 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1su8 h ASN 529 CO 0.00 0.00 -0.03 0.77 -1.65 0.00 0.00 177.43 176.52 1su8 h SER 530 N 0.00 0.00 -0.41 5.81 4.64 -1.27 -1.30 113.55 121.02 1su8 h SER 530 Ca 0.16 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.36 1su8 h SER 530 Cb 0.79 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 1su8 h SER 530 CO -0.00 0.03 -0.16 0.03 -0.87 0.00 0.00 176.83 175.86 1su8 h ARG 531 N 0.00 0.89 -0.76 4.77 3.08 -0.88 -0.13 114.38 121.36 1su8 h ARG 531 Ca -0.00 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.65 1su8 h ARG 531 Cb 0.07 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1su8 h ARG 531 CO 0.00 0.98 0.24 0.00 -1.07 0.00 0.00 179.97 180.13 1su8 h ALA 532 N 1.03 1.00 -0.39 0.04 0.00 -1.28 -0.79 119.26 118.87 1su8 h ALA 532 Ca 0.12 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1su8 h ALA 532 Cb 0.69 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1su8 h ALA 532 CO 0.05 0.67 0.25 0.28 0.00 0.00 0.00 179.25 180.50 1su8 h VAL 533 N 1.13 1.08 -0.60 0.00 2.07 -0.89 0.13 116.25 119.16 1su8 h VAL 533 Ca 0.24 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1su8 h VAL 533 Cb 0.30 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1su8 h VAL 533 CO -0.01 0.09 0.31 0.00 0.02 0.00 0.00 177.57 177.99 1su8 h ALA 534 N 1.15 0.79 -0.29 1.67 0.00 -0.51 0.22 119.26 122.29 1su8 h ALA 534 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1su8 h ALA 534 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1su8 h ALA 534 CO -0.04 -0.03 0.10 1.25 0.00 0.00 0.00 179.25 180.53 1su8 h LEU 535 N 0.59 0.41 -0.54 0.00 5.85 -0.77 -0.36 115.31 120.49 1su8 h LEU 535 Ca 0.27 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1su8 h LEU 535 Cb 0.18 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1su8 h LEU 535 CO -0.18 0.48 -0.11 0.58 -0.34 0.00 0.00 178.44 178.87 1su8 h VAL 536 N 0.31 1.27 -0.52 1.05 2.07 -0.59 -0.65 116.25 119.19 1su8 h VAL 536 Ca 0.09 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 1su8 h VAL 536 Cb 0.21 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1su8 h VAL 536 CO -0.01 0.45 0.10 0.00 0.02 0.00 0.00 177.57 178.13 1su8 h ALA 537 N 0.92 1.20 -0.61 1.67 0.00 -0.53 0.50 119.26 122.41 1su8 h ALA 537 Ca 0.14 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1su8 h ALA 537 Cb 0.68 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1su8 h ALA 537 CO 0.05 0.54 0.08 0.00 0.00 0.00 0.00 179.25 179.92 1su8 h ALA 538 N 1.33 0.82 -0.57 0.00 0.00 -0.59 -0.02 119.26 120.23 1su8 h ALA 538 Ca 0.17 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1su8 h ALA 538 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1su8 h ALA 538 CO 0.00 0.59 0.06 -0.07 0.00 0.00 0.00 179.25 179.84 1su8 h LEU 539 N 0.94 0.93 -0.40 0.00 3.38 -0.65 -0.53 115.31 118.97 1su8 h LEU 539 Ca 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1su8 h LEU 539 Cb 0.46 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1su8 h LEU 539 CO 0.02 0.97 0.21 0.00 0.09 0.00 0.00 178.44 179.73 1su8 h ALA 540 N 0.99 0.51 -0.59 1.53 0.00 -0.65 -1.48 119.26 119.57 1su8 h ALA 540 Ca 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1su8 h ALA 540 Cb 0.46 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1su8 h ALA 540 CO 0.02 0.05 0.33 -0.91 0.00 0.00 0.00 179.25 178.74 1su8 h ASN 541 N 0.51 0.73 -0.02 0.00 -0.26 -0.87 0.40 115.58 116.08 1su8 h ASN 541 Ca 0.14 -0.09 -0.05 0.00 -0.56 0.00 0.00 56.30 55.74 1su8 h ASN 541 Cb 0.08 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 1su8 h ASN 541 CO -0.02 0.61 -0.12 -0.09 -1.06 0.00 0.00 177.43 176.74 1su8 h ARG 542 N 0.80 0.31 0.00 0.81 9.65 -0.85 -2.75 114.38 122.35 1su8 h ARG 542 Ca 0.21 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1su8 h ARG 542 Cb 0.03 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 1su8 h ARG 542 CO -0.03 0.44 -0.59 1.28 2.80 0.00 0.00 179.97 183.86 1su8 n LEU 543 N -4.25 0.71 -1.11 3.80 4.77 -0.58 -4.96 117.00 115.38 1su8 n LEU 543 Ca -0.00 0.25 -0.09 0.00 -0.03 0.00 0.00 56.01 56.14 1su8 n LEU 543 Cb 0.28 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1su8 n LEU 543 CO 0.39 -0.06 -0.07 0.61 -1.33 0.00 0.00 177.39 176.92 1su8 n GLY 544 N 1.33 0.08 3.30 -0.72 0.00 0.06 -5.04 105.19 104.21 1su8 n GLY 544 Ca 0.03 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.40 1su8 n GLY 544 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1su8 s VAL 545 N -2.55 0.99 0.74 1.61 -7.23 -0.76 -5.04 120.40 108.16 1su8 s VAL 545 Ca 0.04 -2.03 -0.10 0.00 -1.81 0.00 0.00 61.98 58.09 1su8 s VAL 545 Cb -0.02 -2.25 0.06 0.00 0.56 0.00 0.00 36.38 34.73 1su8 s VAL 545 CO 0.05 -0.40 1.09 -0.62 -0.31 0.00 0.00 175.10 174.92 1su8 s ASP 546 N -3.27 4.85 0.46 4.85 3.68 -1.26 -4.36 116.67 121.61 1su8 s ASP 546 Ca 0.26 0.73 0.16 0.00 2.13 0.00 0.00 52.55 55.83 1su8 s ASP 546 Cb 0.05 -1.36 1.07 0.00 -1.45 0.00 0.00 42.92 41.23 1su8 s ASP 546 CO 0.07 -1.65 2.01 -0.07 0.13 0.00 0.00 175.17 175.66 1su8 h LEU 547 N -0.77 0.00 0.00 -1.34 4.07 -1.93 -1.36 115.31 113.98 1su8 h LEU 547 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1su8 h LEU 547 Cb 1.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.05 1su8 h LEU 547 CO 0.63 0.17 0.00 -0.90 -1.08 0.00 0.00 178.44 177.26 1su8 n ASP 548 N -4.25 0.00 -0.33 -0.43 5.75 -1.25 -1.75 116.55 114.28 1su8 n ASP 548 Ca -0.02 -1.30 0.07 0.00 -0.01 0.00 0.00 54.79 53.54 1su8 n ASP 548 Cb 0.24 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.32 1su8 n ASP 548 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1su8 n ARG 549 N -0.72 1.74 -3.09 0.11 1.74 -0.51 -4.99 116.66 110.95 1su8 n ARG 549 Ca 0.09 -0.75 -0.32 0.00 -0.77 0.00 0.00 57.85 56.10 1su8 n ARG 549 Cb 0.04 -1.25 -0.05 0.00 -1.02 0.00 0.00 32.46 30.18 1su8 n ARG 549 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1su8 s LEU 550 N -2.01 4.01 -1.49 0.55 1.43 -0.72 -4.78 118.68 115.68 1su8 s LEU 550 Ca 0.12 1.23 -0.12 0.00 -1.03 0.00 0.00 54.13 54.33 1su8 s LEU 550 Cb 0.12 -4.05 0.01 0.00 0.03 0.00 0.00 46.19 42.31 1su8 s LEU 550 CO 0.39 -0.25 2.43 -0.81 0.23 0.00 0.00 176.35 178.35 1su8 n PRO 551 N -0.58 3.22 -4.32 1.29 -0.04 -1.26 -4.84 135.00 128.48 1su8 n PRO 551 Ca 0.03 -2.58 -0.21 0.00 -0.04 0.00 0.00 63.50 60.71 1su8 n PRO 551 Cb 0.53 -3.09 -0.16 0.00 -0.04 0.00 0.00 33.50 30.74 1su8 n PRO 551 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1su8 s VAL 552 N 2.54 0.72 0.26 0.52 1.01 -1.26 -0.94 120.40 123.24 1su8 s VAL 552 Ca 0.54 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.26 1su8 s VAL 552 Cb 0.15 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 1su8 s VAL 552 CO -0.07 0.25 0.09 0.68 0.00 0.00 0.00 175.10 176.05 1su8 s VAL 553 N 0.60 0.59 0.09 2.92 -7.23 -0.19 -4.28 120.40 112.90 1su8 s VAL 553 Ca -0.09 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.12 1su8 s VAL 553 Cb -0.13 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 1su8 s VAL 553 CO 0.01 -0.03 -0.12 0.00 -0.31 0.00 0.00 175.10 174.66 1su8 s ALA 554 N -3.73 1.16 -0.15 1.32 0.00 -0.54 -1.32 121.76 118.50 1su8 s ALA 554 Ca 0.37 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 1su8 s ALA 554 Cb 0.08 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.24 1su8 s ALA 554 CO 0.13 0.03 0.12 0.45 0.00 0.00 0.00 175.76 176.49 1su8 s SER 555 N -2.24 1.82 -1.20 0.00 0.15 0.42 -0.04 113.70 112.61 1su8 s SER 555 Ca 0.03 -0.34 -0.10 0.00 0.70 0.00 0.00 55.95 56.25 1su8 s SER 555 Cb -0.05 -0.05 0.21 0.00 -1.71 0.00 0.00 66.02 64.42 1su8 s SER 555 CO 0.01 -0.32 1.57 0.00 1.20 0.00 0.00 173.24 175.70 1su8 n ALA 556 N 5.30 4.73 0.27 5.45 0.00 0.30 -1.42 120.51 135.14 1su8 n ALA 556 Ca -0.06 -4.44 0.16 0.00 0.00 0.00 0.00 53.44 49.11 1su8 n ALA 556 Cb 0.49 -2.81 0.69 0.00 0.00 0.00 0.00 19.45 17.82 1su8 n ALA 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1su8 h ALA 557 N 6.23 1.02 -0.49 0.00 0.00 -1.80 -1.93 119.26 122.29 1su8 h ALA 557 Ca 0.31 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.93 1su8 h ALA 557 Cb 0.73 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.12 1su8 h ALA 557 CO 1.37 0.05 -1.13 0.39 0.00 0.00 0.00 179.25 179.94 1su8 n GLU 558 N -3.17 1.68 -1.69 0.00 1.02 -1.25 -3.64 120.64 113.59 1su8 n GLU 558 Ca 0.00 -3.49 -0.38 0.00 -0.02 0.00 0.00 57.16 53.28 1su8 n GLU 558 Cb 0.30 -1.58 0.05 0.00 -0.02 0.00 0.00 31.44 30.20 1su8 n GLU 558 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1su8 n ALA 559 N -0.55 0.94 0.12 0.62 0.00 -1.21 -2.74 120.51 117.69 1su8 n ALA 559 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1su8 n ALA 559 Cb 0.80 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1su8 n ALA 559 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1su8 n MET 560 N -1.28 0.00 -2.16 0.00 0.00 -1.26 -4.70 117.12 107.71 1su8 n MET 560 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.52 1su8 n MET 560 Cb 0.46 -0.10 -0.01 0.00 0.00 0.00 0.00 33.22 33.57 1su8 n MET 560 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1su8 s HIS 561 N -2.00 3.40 0.42 1.12 2.46 -1.26 -4.91 115.29 114.52 1su8 s HIS 561 Ca 0.00 1.43 0.17 0.00 0.47 0.00 0.00 55.06 57.12 1su8 s HIS 561 Cb 0.00 -2.81 1.06 0.00 -0.13 0.00 0.00 32.58 30.70 1su8 s HIS 561 CO 0.00 -0.62 1.88 0.93 -2.47 0.00 0.00 174.74 174.46 1su8 h GLU 562 N 0.43 0.41 -0.77 2.88 5.08 -1.96 0.16 114.58 120.81 1su8 h GLU 562 Ca -0.46 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 57.92 1su8 h GLU 562 Cb 1.19 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 1su8 h GLU 562 CO 0.61 0.27 0.51 0.87 -1.00 0.00 0.00 179.01 180.26 1su8 h LYS 563 N 0.42 0.90 -0.13 2.33 1.57 -1.83 -0.75 116.57 119.08 1su8 h LYS 563 Ca 0.43 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 59.03 1su8 h LYS 563 Cb 1.04 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1su8 h LYS 563 CO -0.16 0.59 -0.48 0.00 -0.57 0.00 0.00 179.45 178.84 1su8 h ALA 564 N 1.56 0.95 -0.51 3.86 0.00 -1.33 -0.67 119.26 123.12 1su8 h ALA 564 Ca 0.31 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1su8 h ALA 564 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1su8 h ALA 564 CO -0.09 0.65 0.05 0.28 0.00 0.00 0.00 179.25 180.14 1su8 h VAL 565 N 0.26 1.26 -0.47 0.00 2.07 -0.97 -0.59 116.25 117.80 1su8 h VAL 565 Ca 0.01 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1su8 h VAL 565 Cb 0.94 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1su8 h VAL 565 CO 0.08 0.35 0.21 0.00 0.02 0.00 0.00 177.57 178.23 1su8 h ALA 566 N 0.96 0.61 -0.49 1.67 0.00 -0.85 -0.84 119.26 120.33 1su8 h ALA 566 Ca 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1su8 h ALA 566 Cb 0.45 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1su8 h ALA 566 CO 0.02 0.19 0.24 0.82 0.00 0.00 0.00 179.25 180.52 1su8 h ILE 567 N 0.62 1.19 -0.56 0.00 2.04 -0.97 -0.53 117.51 119.31 1su8 h ILE 567 Ca 0.16 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1su8 h ILE 567 Cb 0.15 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1su8 h ILE 567 CO -0.02 0.21 0.18 1.23 0.00 0.00 0.00 178.15 179.75 1su8 h GLY 568 N 0.65 0.89 1.28 5.37 0.00 -0.93 0.24 103.07 110.56 1su8 h GLY 568 Ca 0.17 -0.47 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 1su8 h GLY 568 CO -0.02 0.45 -0.42 -0.84 0.00 0.00 0.00 176.54 175.70 1su8 h THR 569 N 0.81 1.29 0.00 4.70 2.02 -0.65 -1.89 112.91 119.18 1su8 h THR 569 Ca 0.19 -1.60 -0.11 0.00 0.77 0.00 0.00 66.41 65.65 1su8 h THR 569 Cb 0.22 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1su8 h THR 569 CO -0.01 0.52 -0.52 4.11 0.37 0.00 0.00 175.52 179.99 1su8 h TRP 570 N 0.63 0.00 -0.68 3.16 5.08 -0.70 -0.78 115.95 122.66 1su8 h TRP 570 Ca 0.05 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.04 1su8 h TRP 570 Cb 0.99 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.11 1su8 h TRP 570 CO 0.05 0.52 0.43 0.00 -1.28 0.00 0.00 178.44 178.17 1su8 h ALA 571 N 1.48 0.88 -0.62 0.11 0.00 -0.66 0.11 119.26 120.55 1su8 h ALA 571 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1su8 h ALA 571 Cb 1.08 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1su8 h ALA 571 CO 0.07 0.21 0.20 0.28 0.00 0.00 0.00 179.25 180.01 1su8 h VAL 572 N 0.85 1.24 -0.25 0.00 2.07 -1.05 -0.70 116.25 118.41 1su8 h VAL 572 Ca 0.27 -0.83 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 1su8 h VAL 572 Cb -0.01 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1su8 h VAL 572 CO -0.09 0.32 -0.25 0.74 0.02 0.00 0.00 177.57 178.30 1su8 h THR 573 N 0.89 1.26 -0.00 2.57 2.02 -0.37 -1.96 112.91 117.32 1su8 h THR 573 Ca 0.20 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.11 1su8 h THR 573 Cb 0.28 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1su8 h THR 573 CO -0.01 0.40 -0.06 2.30 0.37 0.00 0.00 175.52 178.52 1su8 n ILE 574 N -4.12 0.00 0.00 3.11 -5.35 0.30 -4.83 119.36 108.47 1su8 n ILE 574 Ca -0.00 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1su8 n ILE 574 Cb 0.41 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.03 1su8 n ILE 574 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1su8 n GLY 575 N 1.26 1.64 3.89 3.28 0.00 -0.74 -4.47 105.19 110.05 1su8 n GLY 575 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1su8 n GLY 575 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1su8 s LEU 576 N 0.00 4.38 0.08 0.99 1.43 -0.29 -3.59 118.68 121.68 1su8 s LEU 576 Ca 0.00 0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 53.19 1su8 s LEU 576 Cb 0.00 -2.39 -0.08 0.00 0.03 0.00 0.00 46.19 43.75 1su8 s LEU 576 CO 0.00 0.32 1.53 -2.84 0.23 0.00 0.00 176.35 175.59 1su8 s PRO 577 N -1.57 4.24 -0.21 1.29 0.02 -1.26 -2.45 135.00 135.06 1su8 s PRO 577 Ca 0.22 2.21 -0.01 0.00 0.02 0.00 0.00 61.00 63.44 1su8 s PRO 577 Cb -0.12 -3.43 0.06 0.00 0.02 0.00 0.00 34.50 31.03 1su8 s PRO 577 CO 0.13 -0.61 0.01 0.99 -0.33 0.00 0.00 177.00 177.18 1su8 s THR 578 N 1.97 0.89 0.26 0.99 2.01 0.26 -1.47 115.64 120.56 1su8 s THR 578 Ca 0.69 -0.82 -0.27 0.00 0.31 0.00 0.00 61.69 61.59 1su8 s THR 578 Cb -0.38 -1.33 -0.09 0.00 0.01 0.00 0.00 72.50 70.71 1su8 s THR 578 CO 0.30 -0.19 0.91 -2.28 -0.69 0.00 0.00 174.62 172.68 1su8 s HIS 579 N 1.68 3.84 -0.07 4.92 2.46 0.94 -0.34 115.29 128.73 1su8 s HIS 579 Ca -0.02 1.80 0.02 0.00 0.47 0.00 0.00 55.06 57.33 1su8 s HIS 579 Cb -0.18 -2.91 0.01 0.00 -0.13 0.00 0.00 32.58 29.37 1su8 s HIS 579 CO -0.08 0.36 -0.13 -1.50 -2.47 0.00 0.00 174.74 170.92 1su8 s ILE 580 N -1.37 1.22 -1.92 0.89 2.07 -0.16 -0.53 121.20 121.39 1su8 s ILE 580 Ca 0.44 -0.53 0.21 0.00 -1.41 0.00 0.00 60.65 59.37 1su8 s ILE 580 Cb -0.22 -1.11 0.57 0.00 0.13 0.00 0.00 42.46 41.83 1su8 s ILE 580 CO 0.27 0.37 1.48 0.61 -1.91 0.00 0.00 174.94 175.77 1su8 n GLY 581 N 3.81 2.39 3.37 1.50 0.00 -0.73 -1.93 105.19 113.60 1su8 n GLY 581 Ca -0.22 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 1su8 n GLY 581 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1su8 s VAL 582 N -1.07 1.75 -0.14 1.61 1.01 -1.26 -4.46 120.40 117.84 1su8 s VAL 582 Ca 0.44 -2.20 -0.26 0.00 0.00 0.00 0.00 61.98 59.96 1su8 s VAL 582 Cb 0.24 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1su8 s VAL 582 CO 0.31 -0.52 0.85 -0.76 0.00 0.00 0.00 175.10 174.98 1su8 s LEU 583 N -3.35 4.21 0.69 3.92 1.43 -1.26 -4.88 118.68 119.43 1su8 s LEU 583 Ca 0.24 1.24 -0.10 0.00 -1.03 0.00 0.00 54.13 54.49 1su8 s LEU 583 Cb 0.00 -3.27 0.02 0.00 0.03 0.00 0.00 46.19 42.96 1su8 s LEU 583 CO 0.08 -0.37 1.06 -2.16 0.23 0.00 0.00 176.35 175.19 1su8 s PRO 584 N 1.93 2.81 -1.41 1.29 0.04 -1.26 -4.92 135.00 133.47 1su8 s PRO 584 Ca 0.40 0.32 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 1su8 s PRO 584 Cb -0.17 -2.07 0.07 0.00 0.04 0.00 0.00 34.50 32.36 1su8 s PRO 584 CO 0.14 -1.00 2.27 -0.35 0.04 0.00 0.00 177.00 178.10 1su8 n PRO 585 N -2.93 3.47 0.00 0.56 -0.05 -1.26 -4.02 135.00 130.76 1su8 n PRO 585 Ca 0.06 -2.94 0.00 0.00 -0.05 0.00 0.00 63.50 60.58 1su8 n PRO 585 Cb 0.58 -3.01 0.00 0.00 -0.05 0.00 0.00 33.50 31.02 1su8 n PRO 585 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 175.50 175.89 1su8 n ILE 586 N 3.84 0.00 0.35 0.52 -5.35 -1.23 -3.72 119.36 113.77 1su8 n ILE 586 Ca 0.54 -0.35 0.14 0.00 -0.27 0.00 0.00 62.75 62.81 1su8 n ILE 586 Cb 0.34 1.00 0.57 0.00 -1.74 0.00 0.00 39.64 39.81 1su8 n ILE 586 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1su8 h THR 587 N 0.00 0.00 0.00 7.28 1.35 -1.68 -1.42 112.91 118.44 1su8 h THR 587 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1su8 h THR 587 Cb 0.00 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1su8 h THR 587 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1su8 n GLY 588 N -0.00 -0.89 2.81 5.82 0.00 0.35 -4.44 105.19 108.84 1su8 n GLY 588 Ca 0.01 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1su8 n GLY 588 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1su8 s SER 589 N -2.40 3.09 0.11 1.61 0.15 -0.54 -4.86 113.70 110.86 1su8 s SER 589 Ca 0.24 -0.86 -0.18 0.00 0.70 0.00 0.00 55.95 55.85 1su8 s SER 589 Cb 0.14 -0.78 -0.04 0.00 -1.71 0.00 0.00 66.02 63.62 1su8 s SER 589 CO 0.30 -0.27 1.64 0.25 1.20 0.00 0.00 173.24 176.37 1su8 h LEU 590 N 8.15 0.44 -1.03 3.45 5.85 -1.82 -1.23 115.31 129.12 1su8 h LEU 590 Ca -0.18 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.40 1su8 h LEU 590 Cb 1.11 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 1su8 h LEU 590 CO 0.36 0.50 0.65 -0.65 -0.34 0.00 0.00 178.44 178.96 1su8 h PRO 591 N 0.34 1.18 -0.44 5.25 0.11 -1.95 0.15 132.00 136.65 1su8 h PRO 591 Ca 0.10 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 1su8 h PRO 591 Cb 0.21 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 1su8 h PRO 591 CO -0.01 0.78 -0.01 0.28 -0.21 0.00 0.00 178.00 178.83 1su8 h VAL 592 N 1.22 1.26 -0.68 3.15 2.07 -1.86 -1.46 116.25 119.95 1su8 h VAL 592 Ca 0.41 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.89 1su8 h VAL 592 Cb 0.07 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1su8 h VAL 592 CO -0.14 0.36 0.43 0.74 0.02 0.00 0.00 177.57 178.99 1su8 h THR 593 N 0.63 1.12 -0.69 2.57 2.02 -0.54 -1.13 112.91 116.89 1su8 h THR 593 Ca 0.12 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 1su8 h THR 593 Cb 0.51 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1su8 h THR 593 CO 0.02 0.16 0.28 1.56 0.37 0.00 0.00 175.52 177.92 1su8 h GLN 594 N 0.86 1.01 0.06 6.66 4.20 -0.54 -0.43 115.11 126.93 1su8 h GLN 594 Ca 0.27 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1su8 h GLN 594 Cb -0.02 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1su8 h GLN 594 CO -0.09 0.82 -0.03 0.82 -0.67 0.00 0.00 178.83 179.68 1su8 h ILE 595 N 0.99 1.00 0.00 2.54 2.04 -0.63 -0.20 117.51 123.25 1su8 h ILE 595 Ca 0.23 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 1su8 h ILE 595 Cb 0.18 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1su8 h ILE 595 CO -0.02 0.04 -0.19 -0.07 0.00 0.00 0.00 178.15 177.91 1su8 h LEU 596 N -0.15 0.00 -0.70 1.44 3.38 -0.89 0.39 115.31 118.78 1su8 h LEU 596 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1su8 h LEU 596 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1su8 h LEU 596 CO 0.01 0.19 -0.25 0.35 0.09 0.00 0.00 178.44 178.83 1su8 n THR 597 N -3.29 0.00 0.14 0.22 -2.24 -0.20 -1.25 114.28 107.67 1su8 n THR 597 Ca 0.01 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1su8 n THR 597 Cb 0.45 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1su8 n THR 597 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1su8 n SER 598 N -0.33 -1.38 0.24 3.42 2.88 -0.25 -4.68 113.62 113.52 1su8 n SER 598 Ca 0.04 0.52 0.15 0.00 -1.33 0.00 0.00 58.87 58.24 1su8 n SER 598 Cb 0.22 1.44 0.45 0.00 -0.75 0.00 0.00 64.21 65.57 1su8 n SER 598 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1su8 h SER 599 N 0.00 0.00 0.09 -3.46 4.64 -0.97 -1.39 113.55 112.46 1su8 h SER 599 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1su8 h SER 599 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1su8 h SER 599 CO 0.00 0.00 0.00 1.62 -0.87 0.00 0.00 176.83 177.58 1su8 h VAL 600 N 0.00 0.00 -0.56 0.95 3.04 -1.16 -0.67 116.25 117.85 1su8 h VAL 600 Ca 0.00 -0.05 0.07 0.00 -1.01 0.00 0.00 66.70 65.72 1su8 h VAL 600 Cb 0.72 0.96 -0.03 0.00 -2.01 0.00 0.00 31.29 30.92 1su8 h VAL 600 CO 0.00 0.00 0.37 0.11 -1.01 0.00 0.00 177.57 177.04 1su8 h LYS 601 N 0.00 0.45 -0.00 4.17 1.57 -1.17 0.39 116.57 121.98 1su8 h LYS 601 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1su8 h LYS 601 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1su8 h LYS 601 CO 0.00 0.30 -0.00 -0.25 -0.57 0.00 0.00 179.45 178.92 1su8 n ASP 602 N -4.47 0.01 -0.09 0.86 8.00 -0.26 -1.23 116.55 119.37 1su8 n ASP 602 Ca 0.08 0.19 -0.12 0.00 0.71 0.00 0.00 54.79 55.65 1su8 n ASP 602 Cb 0.28 -0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 40.95 1su8 n ASP 602 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1su8 n ILE 603 N -1.40 1.48 0.27 0.53 5.41 -0.06 -4.83 119.36 120.76 1su8 n ILE 603 Ca 0.10 0.05 0.04 0.00 1.00 0.00 0.00 62.75 63.94 1su8 n ILE 603 Cb 0.29 -2.22 -0.05 0.00 -0.71 0.00 0.00 39.64 36.95 1su8 n ILE 603 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1su8 n THR 604 N -4.37 0.00 0.00 1.39 -2.24 -0.12 -4.92 114.28 104.03 1su8 n THR 604 Ca -0.21 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1su8 n THR 604 Cb 0.57 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1su8 n THR 604 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1su8 n GLY 605 N 1.42 2.89 3.78 3.38 0.00 -0.36 -4.09 105.19 112.22 1su8 n GLY 605 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1su8 n GLY 605 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1su8 n GLY 606 N -2.00 0.18 3.62 -0.02 0.00 -1.20 -4.66 105.19 101.11 1su8 n GLY 606 Ca 0.00 -1.96 -0.05 0.00 0.00 0.00 0.00 46.02 44.01 1su8 n GLY 606 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1su8 s TYR 607 N -3.19 -0.19 0.33 1.61 1.13 -1.03 -3.07 117.35 112.95 1su8 s TYR 607 Ca 0.67 0.36 -0.26 0.00 -1.41 0.00 0.00 57.07 56.43 1su8 s TYR 607 Cb -0.03 0.47 -0.10 0.00 -1.10 0.00 0.00 41.96 41.20 1su8 s TYR 607 CO 0.45 -0.15 0.97 -0.06 -2.51 0.00 0.00 175.55 174.25 1su8 s PHE 608 N -0.73 3.63 -0.32 -3.49 0.08 -0.38 -0.57 117.98 116.20 1su8 s PHE 608 Ca 0.05 1.76 0.03 0.00 0.12 0.00 0.00 56.93 58.89 1su8 s PHE 608 Cb -0.02 -2.97 0.09 0.00 -0.57 0.00 0.00 43.02 39.54 1su8 s PHE 608 CO -0.06 0.06 0.02 0.42 -0.10 0.00 0.00 175.22 175.55 1su8 s ILE 609 N -1.58 2.39 -0.26 0.64 1.01 0.54 -4.40 121.20 119.53 1su8 s ILE 609 Ca 0.51 -2.07 -0.20 0.00 0.00 0.00 0.00 60.65 58.89 1su8 s ILE 609 Cb -0.20 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 1su8 s ILE 609 CO 0.25 -0.42 0.61 -0.69 0.00 0.00 0.00 174.94 174.69 1su8 s VAL 610 N 1.00 4.99 -0.26 2.92 1.01 -1.26 -0.99 120.40 127.80 1su8 s VAL 610 Ca 0.04 1.05 -0.04 0.00 0.00 0.00 0.00 61.98 63.04 1su8 s VAL 610 Cb -0.20 -3.93 0.15 0.00 0.00 0.00 0.00 36.38 32.40 1su8 s VAL 610 CO -0.06 0.01 0.50 -0.70 0.00 0.00 0.00 175.10 174.85 1su8 s GLU 611 N 2.49 0.46 0.36 2.72 2.56 -0.82 -4.97 118.70 121.50 1su8 s GLU 611 Ca 0.25 0.93 0.19 0.00 0.00 0.00 0.00 54.97 56.34 1su8 s GLU 611 Cb -0.15 0.23 0.25 0.00 2.00 0.00 0.00 34.13 36.46 1su8 s GLU 611 CO 0.09 -0.50 1.54 -0.07 -0.56 0.00 0.00 175.26 175.76 1su8 h LEU 612 N 8.09 0.00 -8.91 2.70 4.07 -1.81 -3.38 115.31 116.06 1su8 h LEU 612 Ca -0.20 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.15 1su8 h LEU 612 Cb 1.14 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.77 1su8 h LEU 612 CO 0.22 0.26 0.30 -0.62 -1.08 0.00 0.00 178.44 177.52 1su8 s ASP 613 N -6.32 6.61 0.31 -0.43 2.15 -1.26 -4.96 116.67 112.76 1su8 s ASP 613 Ca 0.05 0.59 0.09 0.00 0.43 0.00 0.00 52.55 53.71 1su8 s ASP 613 Cb 0.07 -2.38 0.49 0.00 -0.30 0.00 0.00 42.92 40.80 1su8 s ASP 613 CO 0.70 -0.55 1.71 1.55 -0.17 0.00 0.00 175.17 178.41 1su8 h PRO 614 N 8.12 0.13 -0.57 4.34 0.13 -1.93 0.12 132.00 142.33 1su8 h PRO 614 Ca -0.25 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 64.72 1su8 h PRO 614 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1su8 h PRO 614 CO 0.85 0.56 -0.02 0.93 -0.23 0.00 0.00 178.00 180.09 1su8 h GLU 615 N 0.11 1.01 -0.44 0.86 4.39 -1.92 0.37 114.58 118.95 1su8 h GLU 615 Ca 0.01 -0.32 -0.10 0.00 0.34 0.00 0.00 59.36 59.28 1su8 h GLU 615 Cb 0.85 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1su8 h GLU 615 CO 0.07 1.00 -0.12 1.15 -1.16 0.00 0.00 179.01 179.95 1su8 h THR 616 N 0.92 1.26 -0.82 1.13 2.02 -1.85 -1.95 112.91 113.62 1su8 h THR 616 Ca 0.16 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.14 1su8 h THR 616 Cb 0.56 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 1su8 h THR 616 CO 0.03 0.41 0.50 0.00 0.37 0.00 0.00 175.52 176.83 1su8 h ALA 617 N 1.13 1.05 -0.63 6.16 0.00 -0.40 -0.16 119.26 126.41 1su8 h ALA 617 Ca 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1su8 h ALA 617 Cb 0.62 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1su8 h ALA 617 CO 0.04 0.51 0.27 0.00 0.00 0.00 0.00 179.25 180.07 1su8 h ALA 618 N 1.27 0.82 -0.77 0.00 0.00 -0.59 0.16 119.26 120.15 1su8 h ALA 618 Ca 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1su8 h ALA 618 Cb -0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1su8 h ALA 618 CO -0.06 0.42 0.39 -0.44 0.00 0.00 0.00 179.25 179.56 1su8 h ASP 619 N 0.88 0.98 -0.15 0.00 3.32 -0.84 0.02 116.42 120.63 1su8 h ASP 619 Ca 0.21 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.99 1su8 h ASP 619 Cb 0.18 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1su8 h ASP 619 CO -0.02 0.81 -0.52 0.11 -1.72 0.00 0.00 179.24 177.90 1su8 h LYS 620 N 1.09 0.73 -0.57 3.56 1.57 -0.43 0.44 116.57 122.96 1su8 h LYS 620 Ca 0.27 -0.45 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1su8 h LYS 620 Cb 0.07 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1su8 h LYS 620 CO -0.04 1.07 0.03 -0.07 -0.57 0.00 0.00 179.45 179.87 1su8 h LEU 621 N 0.56 0.96 -0.75 2.94 3.38 -0.39 -0.63 115.31 121.38 1su8 h LEU 621 Ca 0.02 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1su8 h LEU 621 Cb 1.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1su8 h LEU 621 CO 0.11 1.01 0.28 -0.07 0.09 0.00 0.00 178.44 179.86 1su8 h LEU 622 N 0.87 1.05 -1.00 1.67 3.38 -0.83 -0.35 115.31 120.12 1su8 h LEU 622 Ca 0.17 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1su8 h LEU 622 Cb 0.50 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1su8 h LEU 622 CO 0.02 0.96 0.11 0.00 0.09 0.00 0.00 178.44 179.61 1su8 h ALA 623 N 1.14 1.18 -0.57 1.53 0.00 -0.62 0.11 119.26 122.03 1su8 h ALA 623 Ca 0.25 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1su8 h ALA 623 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1su8 h ALA 623 CO -0.02 0.55 0.05 0.00 0.00 0.00 0.00 179.25 179.84 1su8 h ALA 624 N 1.32 0.76 -0.29 0.00 0.00 -0.61 0.24 119.26 120.67 1su8 h ALA 624 Ca 0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1su8 h ALA 624 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1su8 h ALA 624 CO 0.00 0.54 0.18 0.82 0.00 0.00 0.00 179.25 180.80 1su8 h ILE 625 N 0.86 1.10 -0.06 0.00 2.04 -0.72 -2.07 117.51 118.66 1su8 h ILE 625 Ca 0.17 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.68 1su8 h ILE 625 Cb 0.47 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1su8 h ILE 625 CO 0.02 0.10 -0.47 0.78 0.00 0.00 0.00 178.15 178.58 1su8 h ASN 626 N 0.38 0.16 -0.64 1.72 2.35 -0.74 0.53 115.58 119.34 1su8 h ASN 626 Ca 0.11 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1su8 h ASN 626 Cb 0.01 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1su8 h ASN 626 CO -0.02 0.61 0.14 -0.33 -1.65 0.00 0.00 177.43 176.18 1su8 h GLU 627 N 0.12 1.05 -0.53 0.81 5.08 -0.74 0.59 114.58 120.96 1su8 h GLU 627 Ca 0.01 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.04 1su8 h GLU 627 Cb 0.88 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1su8 h GLU 627 CO 0.07 0.94 0.05 0.00 -1.00 0.00 0.00 179.01 179.07 1su8 h ARG 628 N 1.00 0.91 -0.45 2.33 2.47 -0.62 -0.99 114.38 119.03 1su8 h ARG 628 Ca 0.21 -0.26 0.05 0.00 -1.26 0.00 0.00 59.98 58.71 1su8 h ARG 628 Cb 0.38 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.56 1su8 h ARG 628 CO 0.00 0.90 0.19 0.00 0.56 0.00 0.00 179.97 181.63 1su8 h ARG 629 N 0.79 0.38 -0.86 0.04 3.08 -0.56 -2.01 114.38 115.24 1su8 h ARG 629 Ca 0.16 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1su8 h ARG 629 Cb 0.46 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 1su8 h ARG 629 CO 0.02 0.25 0.43 0.00 -1.07 0.00 0.00 179.97 179.60 1su8 h ALA 630 N 1.27 1.11 0.00 0.04 0.00 -0.57 0.11 119.26 121.22 1su8 h ALA 630 Ca 0.20 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1su8 h ALA 630 Cb 0.16 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1su8 h ALA 630 CO -0.18 0.65 -0.01 0.78 0.00 0.00 0.00 179.25 180.50 1su8 h GLY 631 N 1.22 0.00 -0.98 0.00 0.00 -0.66 -0.01 103.07 102.64 1su8 h GLY 631 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1su8 h GLY 631 CO -0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.54 1su8 n LEU 632 N -3.10 1.93 0.00 3.11 4.77 -0.63 -4.93 117.00 118.15 1su8 n LEU 632 Ca -0.01 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1su8 n LEU 632 Cb 0.22 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1su8 n LEU 632 CO 0.25 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1su8 n GLY 633 N 1.20 0.50 3.90 -0.72 0.00 -0.02 -5.03 105.19 105.02 1su8 n GLY 633 Ca 0.17 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 1su8 n GLY 633 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1su8 s LEU 634 N 0.00 4.22 0.77 0.99 1.43 -0.07 -5.00 118.68 121.02 1su8 s LEU 634 Ca 0.00 0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 53.59 1su8 s LEU 634 Cb 0.00 -3.38 0.06 0.00 0.03 0.00 0.00 46.19 42.90 1su8 s LEU 634 CO 0.00 -0.00 1.20 -2.84 0.23 0.00 0.00 176.35 174.94 1su8 s PRO 635 N -2.85 1.91 0.00 1.29 0.02 -1.26 -4.11 135.00 130.00 1su8 s PRO 635 Ca 0.42 1.74 0.00 0.00 0.02 0.00 0.00 61.00 63.18 1su8 s PRO 635 Cb -0.12 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.59 1su8 s PRO 635 CO 0.25 -2.01 0.00 -2.67 -0.33 0.00 0.00 177.00 172.25