#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1su6 h ASN 5 N 0.00 0.00 1.73 1.08 4.21 -1.98 0.28 115.58 120.89 1su6 h ASN 5 Ca 0.00 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.47 1su6 h ASN 5 Cb 0.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 1su6 h ASN 5 CO 0.00 0.00 -0.19 -0.07 -1.29 0.00 0.00 177.43 175.89 1su6 h LEU 6 N 0.00 0.00 0.04 1.61 3.38 -2.02 -3.35 115.31 114.97 1su6 h LEU 6 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1su6 h LEU 6 Cb 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1su6 h LEU 6 CO 0.00 0.19 -1.78 0.29 0.09 0.00 0.00 178.44 177.23 1su6 n LYS 7 N -3.16 0.64 -3.87 1.13 5.02 -0.09 -4.36 118.16 113.47 1su6 n LYS 7 Ca 0.03 0.40 -0.11 0.00 -2.02 0.00 0.00 58.31 56.60 1su6 n LYS 7 Cb 0.59 -1.68 -0.12 0.00 -0.02 0.00 0.00 35.03 33.79 1su6 n LYS 7 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1su6 s SER 8 N -6.98 -0.00 0.00 4.39 0.15 -0.21 -1.25 113.70 109.80 1su6 s SER 8 Ca -0.29 -0.02 0.28 0.00 0.70 0.00 0.00 55.95 56.62 1su6 s SER 8 Cb 0.08 0.14 1.21 0.00 -1.71 0.00 0.00 66.02 65.74 1su6 s SER 8 CO 0.64 -0.12 1.83 0.35 1.20 0.00 0.00 173.24 177.14 1su6 n THR 9 N 2.57 0.02 -2.98 6.45 -2.24 -0.40 -4.09 114.28 113.61 1su6 n THR 9 Ca -0.16 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.01 1su6 n THR 9 Cb 0.58 0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 1su6 n THR 9 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1su6 s ASP 10 N -1.95 6.76 0.35 3.42 -1.08 -1.26 -4.94 116.67 117.97 1su6 s ASP 10 Ca 0.39 0.93 0.09 0.00 -0.52 0.00 0.00 52.55 53.45 1su6 s ASP 10 Cb 0.21 -2.40 0.66 0.00 -1.46 0.00 0.00 42.92 39.93 1su6 s ASP 10 CO 0.33 -0.43 1.82 0.03 0.52 0.00 0.00 175.17 177.45 1su6 h ARG 11 N 7.67 0.18 -0.43 4.34 3.08 -1.95 -0.39 114.38 126.89 1su6 h ARG 11 Ca -0.26 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.59 1su6 h ARG 11 Cb 1.11 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1su6 h ARG 11 CO 0.83 0.45 -0.28 0.00 -1.07 0.00 0.00 179.97 179.90 1su6 h ALA 12 N 1.55 0.61 -0.67 0.04 0.00 -1.93 -2.28 119.26 116.58 1su6 h ALA 12 Ca 0.03 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1su6 h ALA 12 Cb 0.58 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1su6 h ALA 12 CO 0.04 0.64 0.21 0.28 0.00 0.00 0.00 179.25 180.42 1su6 h VAL 13 N 0.77 1.25 -0.76 0.00 2.07 -1.81 -2.22 116.25 115.55 1su6 h VAL 13 Ca 0.09 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.80 1su6 h VAL 13 Cb 0.86 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1su6 h VAL 13 CO 0.08 0.33 0.46 1.56 0.02 0.00 0.00 177.57 180.02 1su6 h GLN 14 N 0.97 0.84 -0.55 1.57 4.20 -0.93 0.88 115.11 122.10 1su6 h GLN 14 Ca 0.22 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.88 1su6 h GLN 14 Cb 0.29 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1su6 h GLN 14 CO -0.01 0.56 0.36 0.37 -0.67 0.00 0.00 178.83 179.43 1su6 h GLN 15 N 0.87 0.70 -0.03 1.46 4.15 -1.23 -1.56 115.11 119.47 1su6 h GLN 15 Ca 0.32 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.58 1su6 h GLN 15 Cb 0.11 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1su6 h GLN 15 CO -0.15 0.46 -0.53 0.52 -1.93 0.00 0.00 178.83 177.20 1su6 h MET 16 N 0.72 0.08 -0.84 1.69 2.86 -0.77 -2.39 114.93 116.27 1su6 h MET 16 Ca 0.20 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1su6 h MET 16 Cb -0.06 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 1su6 h MET 16 CO -0.05 0.59 0.41 -0.07 1.06 0.00 0.00 176.91 178.85 1su6 h LEU 17 N 0.06 1.10 -0.83 1.22 3.38 -0.31 0.15 115.31 120.08 1su6 h LEU 17 Ca -0.00 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1su6 h LEU 17 Cb 0.96 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1su6 h LEU 17 CO 0.07 0.92 0.11 0.44 0.09 0.00 0.00 178.44 180.07 1su6 h ASP 18 N 1.20 0.94 -0.18 -0.43 3.32 -0.96 -0.66 116.42 119.65 1su6 h ASP 18 Ca 0.29 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1su6 h ASP 18 Cb 0.11 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1su6 h ASP 18 CO -0.04 0.93 0.05 0.50 -1.72 0.00 0.00 179.24 178.97 1su6 h LYS 19 N 0.93 0.27 -0.94 3.56 3.64 -0.86 -0.24 116.57 122.94 1su6 h LYS 19 Ca 0.19 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1su6 h LYS 19 Cb 0.39 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1su6 h LYS 19 CO 0.01 0.39 0.62 0.00 -2.27 0.00 0.00 179.45 178.19 1su6 h ALA 20 N 0.87 1.32 0.08 5.00 0.00 -0.57 0.37 119.26 126.33 1su6 h ALA 20 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1su6 h ALA 20 Cb 0.23 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1su6 h ALA 20 CO -0.00 0.63 -0.04 -0.22 0.00 0.00 0.00 179.25 179.62 1su6 h LYS 21 N 1.27 -0.10 -0.73 0.00 3.64 -0.86 -0.00 116.57 119.79 1su6 h LYS 21 Ca 0.34 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.88 1su6 h LYS 21 Cb -0.14 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 31.60 1su6 h LYS 21 CO -0.07 0.07 0.23 -0.09 -2.27 0.00 0.00 179.45 177.31 1su6 h ARG 22 N -0.24 0.33 -0.05 1.90 2.43 -0.58 -1.90 114.38 116.27 1su6 h ARG 22 Ca -0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1su6 h ARG 22 Cb 0.21 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1su6 h ARG 22 CO 0.02 0.22 0.00 0.39 -1.51 0.00 0.00 179.97 179.09 1su6 n GLU 23 N -5.09 1.47 -1.94 0.20 1.02 0.08 -4.93 120.64 111.46 1su6 n GLU 23 Ca 0.14 -0.70 -0.15 0.00 -0.02 0.00 0.00 57.16 56.43 1su6 n GLU 23 Cb 0.43 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 1su6 n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1su6 n GLY 24 N 1.08 0.48 3.63 0.62 0.00 -0.18 -4.99 105.19 105.84 1su6 n GLY 24 Ca 0.19 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1su6 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1su6 s ILE 25 N -2.67 4.95 0.19 -0.61 1.01 -0.27 -5.03 121.20 118.78 1su6 s ILE 25 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 60.65 61.59 1su6 s ILE 25 Cb 0.00 -3.98 -0.08 0.00 0.01 0.00 0.00 42.46 38.41 1su6 s ILE 25 CO 0.00 0.01 1.13 -1.58 0.00 0.00 0.00 174.94 174.50 1su6 s GLN 26 N 2.51 4.57 0.52 2.79 0.74 -1.26 -4.54 119.66 124.98 1su6 s GLN 26 Ca 0.29 1.78 0.04 0.00 0.05 0.00 0.00 55.36 57.51 1su6 s GLN 26 Cb -0.15 -3.25 0.01 0.00 1.10 0.00 0.00 33.01 30.71 1su6 s GLN 26 CO 0.08 0.04 0.22 0.95 -0.55 0.00 0.00 175.29 176.04 1su6 s THR 27 N -0.32 1.52 0.35 -0.34 -4.23 -1.26 -4.99 115.64 106.37 1su6 s THR 27 Ca 0.50 -1.71 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 1su6 s THR 27 Cb -0.31 -2.24 0.29 0.00 1.34 0.00 0.00 72.50 71.59 1su6 s THR 27 CO 0.36 0.00 1.94 1.62 -0.54 0.00 0.00 174.62 178.01 1su6 h VAL 28 N 1.06 1.03 -0.20 2.29 3.04 -1.97 -0.63 116.25 120.87 1su6 h VAL 28 Ca -0.40 -0.28 -0.12 0.00 -1.01 0.00 0.00 66.70 64.88 1su6 h VAL 28 Cb 1.30 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 1su6 h VAL 28 CO 0.65 0.15 -0.41 -0.50 -1.01 0.00 0.00 177.57 176.46 1su6 h TRP 29 N 0.82 0.54 -0.43 3.17 6.55 -1.96 -0.64 115.95 123.99 1su6 h TRP 29 Ca 0.33 -0.15 -0.10 0.00 0.95 0.00 0.00 58.89 59.92 1su6 h TRP 29 Cb 0.26 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.43 1su6 h TRP 29 CO -0.00 0.79 -0.11 -0.44 -1.05 0.00 0.00 178.44 177.63 1su6 h ASP 30 N 0.38 0.84 0.12 -3.49 3.32 -1.58 -1.49 116.42 114.51 1su6 h ASP 30 Ca 0.03 -0.37 -0.12 0.00 0.02 0.00 0.00 57.03 56.60 1su6 h ASP 30 Cb 0.87 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1su6 h ASP 30 CO 0.07 1.02 -0.41 0.03 -1.72 0.00 0.00 179.24 178.23 1su6 h ARG 31 N 0.66 0.38 -0.41 3.56 3.08 -1.06 -1.28 114.38 119.32 1su6 h ARG 31 Ca 0.11 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1su6 h ARG 31 Cb 0.65 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1su6 h ARG 31 CO 0.04 0.73 0.20 -0.92 -1.07 0.00 0.00 179.97 178.95 1su6 h TYR 32 N 0.31 0.58 -0.91 3.04 3.20 -0.97 -2.44 116.97 119.79 1su6 h TYR 32 Ca 0.03 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1su6 h TYR 32 Cb 0.86 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.90 1su6 h TYR 32 CO 0.02 0.48 0.59 1.49 -1.64 0.00 0.00 178.16 179.11 1su6 h GLU 33 N 0.52 1.13 0.00 1.82 4.57 -0.82 -0.71 114.58 121.09 1su6 h GLU 33 Ca 0.14 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1su6 h GLU 33 Cb 0.12 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 1su6 h GLU 33 CO -0.02 0.75 0.00 0.00 -1.18 0.00 0.00 179.01 178.56 1su6 n ALA 34 N -2.35 1.69 1.02 2.92 0.00 -0.52 -2.18 120.51 121.08 1su6 n ALA 34 Ca 0.11 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1su6 n ALA 34 Cb 0.07 -1.37 0.16 0.00 0.00 0.00 0.00 19.45 18.30 1su6 n ALA 34 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1su6 n MET 35 N -2.15 0.10 -2.70 0.00 0.00 -0.29 -4.94 117.12 107.14 1su6 n MET 35 Ca 0.02 -0.07 -0.37 0.00 -0.00 0.00 0.00 57.70 57.29 1su6 n MET 35 Cb 0.23 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 31.89 1su6 n MET 35 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1su6 s LYS 36 N -2.95 4.48 0.29 2.12 1.02 -0.92 -3.47 119.74 120.30 1su6 s LYS 36 Ca 0.11 1.40 -0.25 0.00 0.02 0.00 0.00 55.97 57.25 1su6 s LYS 36 Cb 0.17 -2.75 -0.09 0.00 -0.52 0.00 0.00 37.83 34.64 1su6 s LYS 36 CO 0.73 0.17 0.90 -1.25 -0.92 0.00 0.00 175.35 174.97 1su6 s PRO 37 N -2.15 4.56 0.55 -1.68 0.04 -1.26 -5.06 135.00 129.99 1su6 s PRO 37 Ca 0.52 1.26 -0.10 0.00 0.04 0.00 0.00 61.00 62.72 1su6 s PRO 37 Cb -0.20 -2.89 -0.05 0.00 0.04 0.00 0.00 34.50 31.40 1su6 s PRO 37 CO 0.25 0.34 0.93 -0.65 0.04 0.00 0.00 177.00 177.92 1su6 s GLN 38 N -1.89 3.64 0.02 4.56 -0.21 -1.23 -4.95 119.66 119.61 1su6 s GLN 38 Ca 0.47 0.60 -0.30 0.00 0.02 0.00 0.00 55.36 56.15 1su6 s GLN 38 Cb -0.19 -2.20 -0.08 0.00 1.00 0.00 0.00 33.01 31.54 1su6 s GLN 38 CO 0.24 -0.39 1.80 0.00 -2.12 0.00 0.00 175.29 174.83 1su6 h GLY 40 N 9.92 0.00 0.97 0.00 0.00 -1.99 -1.84 103.07 110.13 1su6 h GLY 40 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1su6 h GLY 40 CO 0.94 0.00 0.22 0.74 0.00 0.00 0.00 176.54 178.45 1su6 h PHE 41 N 0.00 0.73 -0.36 5.60 0.04 -1.90 -2.35 116.94 118.70 1su6 h PHE 41 Ca -0.01 -0.04 -0.15 0.00 2.80 0.00 0.00 57.97 60.57 1su6 h PHE 41 Cb 0.94 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 1su6 h PHE 41 CO 0.00 0.59 -0.36 0.78 -0.60 0.00 0.00 178.31 178.72 1su6 h GLY 42 N 0.66 0.96 1.89 -1.45 0.00 -1.81 0.33 103.07 103.65 1su6 h GLY 42 Ca 0.17 -0.99 -0.05 0.00 0.00 0.00 0.00 47.33 46.46 1su6 h GLY 42 CO -0.02 0.89 -0.17 1.05 0.00 0.00 0.00 176.54 178.29 1su6 h GLU 43 N 0.69 0.14 -0.00 4.80 4.11 -1.21 -1.81 114.58 121.29 1su6 h GLU 43 Ca 0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1su6 h GLU 43 Cb 0.95 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1su6 h GLU 43 CO 0.09 0.31 -0.28 0.25 0.07 0.00 0.00 179.01 179.45 1su6 n THR 44 N -4.28 0.00 -0.39 -1.06 -2.24 -0.90 -4.04 114.28 101.38 1su6 n THR 44 Ca -0.01 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1su6 n THR 44 Cb 0.27 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1su6 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1su6 n GLY 45 N 1.42 0.89 2.43 3.38 0.00 -0.68 -0.83 105.19 111.79 1su6 n GLY 45 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1su6 n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1su6 n LEU 46 N 0.00 7.01 -3.81 0.99 4.77 0.05 -4.24 117.00 121.78 1su6 n LEU 46 Ca 0.00 -4.28 -0.13 0.00 -0.03 0.00 0.00 56.01 51.58 1su6 n LEU 46 Cb 0.00 -1.31 -0.12 0.00 -2.33 0.00 0.00 43.42 39.66 1su6 n LEU 46 CO 0.00 1.86 -0.16 0.00 -1.33 0.00 0.00 177.39 177.76 1su6 n ARG 49 N 3.90 1.71 0.00 0.00 1.74 -1.26 -0.86 116.66 121.89 1su6 n ARG 49 Ca -0.24 -3.24 0.16 0.00 -0.77 0.00 0.00 57.85 53.75 1su6 n ARG 49 Cb 0.52 -1.41 0.90 0.00 -1.02 0.00 0.00 32.46 31.45 1su6 n ARG 49 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1su6 n HIS 50 N -0.62 0.00 -3.98 -1.55 8.25 -1.26 -4.82 115.22 111.23 1su6 n HIS 50 Ca 0.20 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.57 1su6 n HIS 50 Cb 0.87 -0.06 -0.05 0.00 1.12 0.00 0.00 29.99 31.86 1su6 n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1su6 n LEU 52 N -0.37 0.35 0.08 0.00 4.77 -1.26 -1.71 117.00 118.86 1su6 n LEU 52 Ca -0.02 -0.14 0.13 0.00 -0.03 0.00 0.00 56.01 55.95 1su6 n LEU 52 Cb 0.62 -0.02 0.46 0.00 -2.33 0.00 0.00 43.42 42.15 1su6 n LEU 52 CO 0.22 0.07 0.90 0.00 -1.33 0.00 0.00 177.39 177.26 1su6 n GLN 53 N -0.56 0.20 -1.08 3.23 6.02 -1.26 -4.86 117.38 119.06 1su6 n GLN 53 Ca 0.15 0.17 -0.19 0.00 -0.01 0.00 0.00 57.00 57.12 1su6 n GLN 53 Cb 0.12 -1.73 0.14 0.00 1.02 0.00 0.00 30.24 29.79 1su6 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1su6 n GLY 54 N 1.30 -1.67 3.79 1.08 0.00 -0.69 -4.79 105.19 104.21 1su6 n GLY 54 Ca 0.06 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 1su6 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1su6 s PRO 55 N -4.79 4.43 -0.06 1.61 0.05 -1.26 -5.04 135.00 129.95 1su6 s PRO 55 Ca 0.47 1.32 -0.01 0.00 0.05 0.00 0.00 61.00 62.84 1su6 s PRO 55 Cb -0.02 -2.62 -0.03 0.00 0.05 0.00 0.00 34.50 31.88 1su6 s PRO 55 CO 0.34 0.13 0.00 0.00 0.05 0.00 0.00 177.00 177.52 1su6 s ARG 57 N -1.12 1.08 -0.06 0.00 1.70 -1.26 -0.37 118.95 118.91 1su6 s ARG 57 Ca 0.16 -1.51 0.01 0.00 -0.47 0.00 0.00 55.73 53.92 1su6 s ARG 57 Cb -0.11 -0.28 0.02 0.00 -0.57 0.00 0.00 34.95 34.01 1su6 s ARG 57 CO 0.05 -0.11 -0.07 0.42 -1.08 0.00 0.00 175.30 174.52 1su6 s ILE 58 N -3.64 0.75 0.17 4.99 1.01 -0.83 -4.74 121.20 118.92 1su6 s ILE 58 Ca 0.22 -0.22 -0.32 0.00 0.00 0.00 0.00 60.65 60.34 1su6 s ILE 58 Cb 0.06 -0.76 -0.11 0.00 0.01 0.00 0.00 42.46 41.67 1su6 s ILE 58 CO 0.03 0.28 1.66 0.20 0.00 0.00 0.00 174.94 177.11 1su6 s ASN 59 N 1.06 6.49 0.22 3.58 0.02 -0.63 -4.83 114.94 120.85 1su6 s ASN 59 Ca -0.08 2.72 -0.08 0.00 -1.02 0.00 0.00 52.86 54.40 1su6 s ASN 59 Cb -0.14 -2.59 0.31 0.00 0.02 0.00 0.00 41.25 38.85 1su6 s ASN 59 CO -0.01 -0.91 1.76 -0.65 0.02 0.00 0.00 177.10 177.32 1su6 h PRO 60 N 7.10 0.50 -4.41 -0.60 0.11 -1.93 -3.43 132.00 129.34 1su6 h PRO 60 Ca -0.43 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.46 1su6 h PRO 60 Cb 1.20 -0.11 -0.17 0.00 0.11 0.00 0.00 31.00 32.03 1su6 h PRO 60 CO 0.94 0.33 -0.70 -0.06 -0.21 0.00 0.00 178.00 178.30 1su6 s PHE 61 N -6.07 0.65 0.00 0.65 0.08 -1.26 -5.10 117.98 106.92 1su6 s PHE 61 Ca -0.13 -0.86 0.00 0.00 0.12 0.00 0.00 56.93 56.06 1su6 s PHE 61 Cb 0.18 -0.41 0.00 0.00 -0.57 0.00 0.00 43.02 42.21 1su6 s PHE 61 CO 0.75 -0.23 0.00 0.41 -0.10 0.00 0.00 175.22 176.06 1su6 n GLY 62 N 0.45 0.37 0.00 4.36 0.00 -1.26 -5.04 105.19 104.07 1su6 n GLY 62 Ca -0.16 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1su6 n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1su6 n ASP 63 N 0.00 0.25 -4.71 1.61 8.00 -1.26 -5.05 116.55 115.40 1su6 n ASP 63 Ca 0.00 -0.05 -0.33 0.00 0.71 0.00 0.00 54.79 55.12 1su6 n ASP 63 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.21 1su6 n ASP 63 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1su6 s GLU 64 N 2.53 1.85 0.32 -1.24 2.02 -1.26 -4.43 118.70 118.49 1su6 s GLU 64 Ca 0.00 1.68 -0.26 0.00 0.02 0.00 0.00 54.97 56.41 1su6 s GLU 64 Cb 0.00 -1.81 -0.10 0.00 0.10 0.00 0.00 34.13 32.32 1su6 s GLU 64 CO 0.00 -2.04 0.95 -1.25 0.02 0.00 0.00 175.26 172.95 1su6 s PRO 65 N -4.15 4.59 -0.00 0.39 0.04 -1.26 -4.88 135.00 129.73 1su6 s PRO 65 Ca 0.72 1.36 0.10 0.00 0.04 0.00 0.00 61.00 63.23 1su6 s PRO 65 Cb -0.27 -2.84 -0.12 0.00 0.04 0.00 0.00 34.50 31.30 1su6 s PRO 65 CO 0.49 0.28 0.39 1.63 0.04 0.00 0.00 177.00 179.84 1su6 n LYS 66 N 0.64 2.91 -3.72 4.56 5.02 -1.26 -1.61 118.16 124.69 1su6 n LYS 66 Ca 0.02 -0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1su6 n LYS 66 Cb 0.50 -1.04 -0.08 0.00 -0.02 0.00 0.00 35.03 34.38 1su6 n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1su6 s VAL 67 N -2.13 0.04 0.78 -0.18 0.11 -1.26 -4.59 120.40 113.17 1su6 s VAL 67 Ca 0.02 -0.35 -0.14 0.00 -2.93 0.00 0.00 61.98 58.59 1su6 s VAL 67 Cb 0.08 -0.66 0.06 0.00 -1.53 0.00 0.00 36.38 34.33 1su6 s VAL 67 CO 0.43 -0.19 1.18 0.61 -3.33 0.00 0.00 175.10 173.80 1su6 n GLY 68 N 1.44 -0.01 0.35 6.54 0.00 0.23 -4.91 105.19 108.82 1su6 n GLY 68 Ca -0.20 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.40 1su6 n GLY 68 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1su6 h ILE 69 N -0.68 1.16 -0.00 -0.61 2.04 -1.95 -0.87 117.51 116.60 1su6 h ILE 69 Ca -0.47 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1su6 h ILE 69 Cb 1.31 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1su6 h ILE 69 CO 0.47 0.18 -0.00 0.00 0.00 0.00 0.00 178.15 178.79 1su6 n GLY 71 N 1.02 0.52 3.70 0.00 0.00 -0.33 -5.05 105.19 105.05 1su6 n GLY 71 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1su6 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su6 s ALA 72 N -2.05 3.72 0.74 4.61 0.00 -1.26 -4.69 121.76 122.83 1su6 s ALA 72 Ca 0.00 1.28 -0.09 0.00 0.00 0.00 0.00 51.96 53.14 1su6 s ALA 72 Cb 0.00 -3.69 0.06 0.00 0.00 0.00 0.00 23.12 19.49 1su6 s ALA 72 CO 0.00 -1.06 1.09 0.95 0.00 0.00 0.00 175.76 176.74 1su6 s THR 73 N 2.35 2.44 0.27 0.00 -4.23 -1.26 -0.60 115.64 114.61 1su6 s THR 73 Ca 0.74 -0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 61.22 1su6 s THR 73 Cb -0.41 -3.10 0.27 0.00 1.34 0.00 0.00 72.50 70.59 1su6 s THR 73 CO 0.33 -0.13 1.85 0.00 -0.54 0.00 0.00 174.62 176.13 1su6 h ALA 74 N -0.76 1.45 0.00 3.99 0.00 -1.93 -0.24 119.26 121.76 1su6 h ALA 74 Ca -0.45 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 1su6 h ALA 74 Cb 1.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1su6 h ALA 74 CO 0.63 0.28 -0.65 1.05 0.00 0.00 0.00 179.25 180.56 1su6 h GLU 75 N 1.03 0.00 -0.24 0.00 4.11 -1.93 -0.16 114.58 117.40 1su6 h GLU 75 Ca 0.47 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.83 1su6 h GLU 75 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1su6 h GLU 75 CO -0.24 0.65 -0.13 0.28 0.07 0.00 0.00 179.01 179.64 1su6 h VAL 76 N 0.00 1.31 -0.60 -1.06 2.07 -1.78 -1.58 116.25 114.61 1su6 h VAL 76 Ca -0.01 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1su6 h VAL 76 Cb 1.19 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 1su6 h VAL 76 CO 0.08 0.38 0.34 0.40 0.02 0.00 0.00 177.57 178.79 1su6 h ILE 77 N 0.22 1.19 -0.33 4.57 2.04 -0.88 0.09 117.51 124.41 1su6 h ILE 77 Ca 0.05 -0.47 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 1su6 h ILE 77 Cb 0.64 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1su6 h ILE 77 CO 0.04 0.20 -0.02 0.58 0.00 0.00 0.00 178.15 178.95 1su6 h VAL 78 N 0.81 1.27 -0.24 1.67 2.07 -1.02 -1.89 116.25 118.91 1su6 h VAL 78 Ca 0.21 -1.01 -0.10 0.00 0.82 0.00 0.00 66.70 66.62 1su6 h VAL 78 Cb 0.03 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1su6 h VAL 78 CO -0.04 0.33 -0.27 0.00 0.02 0.00 0.00 177.57 177.61 1su6 h ALA 79 N 0.84 1.08 -0.40 1.67 0.00 -1.07 -1.62 119.26 119.75 1su6 h ALA 79 Ca 0.09 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1su6 h ALA 79 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1su6 h ALA 79 CO 0.02 0.57 -0.15 0.00 0.00 0.00 0.00 179.25 179.69 1su6 h ARG 80 N 0.42 0.81 -0.59 0.00 3.08 -0.77 -0.66 114.38 116.67 1su6 h ARG 80 Ca 0.06 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 1su6 h ARG 80 Cb 0.70 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1su6 h ARG 80 CO 0.05 0.96 0.31 0.78 -1.07 0.00 0.00 179.97 181.00 1su6 h GLY 81 N 0.61 0.89 1.00 0.04 0.00 -1.23 -1.50 103.07 102.87 1su6 h GLY 81 Ca 0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1su6 h GLY 81 CO 0.05 0.40 0.37 -2.00 0.00 0.00 0.00 176.54 175.35 1su6 h LEU 82 N 0.79 0.76 -0.71 3.11 5.85 -1.15 -2.12 115.31 121.84 1su6 h LEU 82 Ca 0.20 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1su6 h LEU 82 Cb 0.07 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1su6 h LEU 82 CO -0.03 0.61 0.39 0.44 -0.34 0.00 0.00 178.44 179.50 1su6 h ASP 83 N 0.84 0.89 -0.13 1.25 5.19 -0.71 -1.28 116.42 122.47 1su6 h ASP 83 Ca 0.22 -0.10 -0.07 0.00 -0.62 0.00 0.00 57.03 56.46 1su6 h ASP 83 Cb -0.00 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 1su6 h ASP 83 CO -0.04 0.73 -0.13 0.03 -3.12 0.00 0.00 179.24 176.71 1su6 h ARG 84 N 0.98 0.49 -0.51 3.56 3.08 -1.04 -1.06 114.38 119.88 1su6 h ARG 84 Ca 0.25 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1su6 h ARG 84 Cb 0.04 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1su6 h ARG 84 CO -0.04 0.62 0.31 0.77 -1.07 0.00 0.00 179.97 180.56 1su6 h SER 85 N 0.46 0.51 -0.64 7.04 0.02 -0.76 -0.55 113.55 119.63 1su6 h SER 85 Ca 0.08 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 1su6 h SER 85 Cb 0.50 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1su6 h SER 85 CO 0.03 0.36 0.18 0.40 -1.14 0.00 0.00 176.83 176.66 1su6 h ILE 86 N 0.62 1.25 -0.70 3.27 2.04 -0.76 -1.26 117.51 121.98 1su6 h ILE 86 Ca 0.20 -0.89 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 1su6 h ILE 86 Cb 0.00 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1su6 h ILE 86 CO -0.08 0.34 0.20 0.00 0.00 0.00 0.00 178.15 178.61 1su6 h ALA 87 N 1.07 1.04 -0.38 1.87 0.00 -0.77 -0.17 119.26 121.92 1su6 h ALA 87 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1su6 h ALA 87 Cb 0.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1su6 h ALA 87 CO -0.00 0.64 0.19 0.00 0.00 0.00 0.00 179.25 180.08 1su6 h ALA 88 N 1.17 0.49 -0.13 0.00 0.00 -0.93 0.65 119.26 120.52 1su6 h ALA 88 Ca 0.23 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1su6 h ALA 88 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1su6 h ALA 88 CO -0.00 0.05 0.04 0.78 0.00 0.00 0.00 179.25 180.11 1su6 h GLY 89 N 0.48 0.16 0.45 0.00 0.00 -0.86 -2.01 103.07 101.29 1su6 h GLY 89 Ca 0.13 -0.03 0.11 0.00 0.00 0.00 0.00 47.33 47.55 1su6 h GLY 89 CO -0.02 0.02 0.55 0.00 0.00 0.00 0.00 176.54 177.09 1su6 h ALA 90 N 1.08 1.36 -0.22 3.60 0.00 -0.79 -1.37 119.26 122.92 1su6 h ALA 90 Ca 0.06 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1su6 h ALA 90 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1su6 h ALA 90 CO -0.06 0.13 -0.17 0.00 0.00 0.00 0.00 179.25 179.15 1su6 h ALA 91 N 1.51 1.30 -0.01 0.00 0.00 -0.36 -0.35 119.26 121.35 1su6 h ALA 91 Ca 0.46 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1su6 h ALA 91 Cb 0.47 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1su6 h ALA 91 CO -0.27 0.47 -0.29 0.78 0.00 0.00 0.00 179.25 179.94 1su6 h GLY 92 N 0.92 0.23 1.58 0.00 0.00 -0.55 -1.06 103.07 104.18 1su6 h GLY 92 Ca 0.06 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1su6 h GLY 92 CO 0.03 0.35 -0.01 0.45 0.00 0.00 0.00 176.54 177.35 1su6 h HIS 93 N -0.43 0.55 -0.25 5.60 -0.00 -1.39 -1.97 115.15 117.26 1su6 h HIS 93 Ca -0.03 -0.06 -0.02 0.00 -0.00 0.00 0.00 60.37 60.26 1su6 h HIS 93 Cb 1.02 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 28.26 1su6 h HIS 93 CO 0.17 0.55 0.08 1.03 -0.00 0.00 0.00 177.93 179.76 1su6 h SER 94 N 0.51 0.36 -0.46 2.45 0.87 -1.08 -1.44 113.55 114.75 1su6 h SER 94 Ca 0.11 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1su6 h SER 94 Cb 0.35 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1su6 h SER 94 CO 0.01 0.47 0.29 1.23 -0.53 0.00 0.00 176.83 178.30 1su6 h GLY 95 N 0.24 0.66 0.49 5.77 0.00 -1.02 0.14 103.07 109.35 1su6 h GLY 95 Ca 0.08 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.16 1su6 h GLY 95 CO -0.00 0.26 -0.31 0.84 0.00 0.00 0.00 176.54 177.33 1su6 h HIS 96 N 0.62 -0.83 -0.71 5.60 6.17 -1.28 -1.21 115.15 123.50 1su6 h HIS 96 Ca 0.17 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.22 1su6 h HIS 96 Cb -0.02 0.35 -0.03 0.00 2.52 0.00 0.00 27.41 30.22 1su6 h HIS 96 CO -0.03 -0.42 0.28 0.00 0.71 0.00 0.00 177.93 178.47 1su6 h ALA 97 N 0.12 0.93 -0.81 5.26 0.00 -1.02 -2.49 119.26 121.24 1su6 h ALA 97 Ca 0.02 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1su6 h ALA 97 Cb 0.56 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1su6 h ALA 97 CO -0.16 0.55 0.53 -0.22 0.00 0.00 0.00 179.25 179.95 1su6 h LYS 98 N 1.02 1.02 -0.62 0.00 3.64 -0.81 0.06 116.57 120.88 1su6 h LYS 98 Ca 0.24 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 1su6 h LYS 98 Cb 0.21 -0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 1su6 h LYS 98 CO -0.02 0.67 0.29 1.25 -2.27 0.00 0.00 179.45 179.37 1su6 h HIS 99 N 1.05 0.51 -0.37 1.91 2.76 -0.80 -0.36 115.15 119.86 1su6 h HIS 99 Ca 0.31 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.37 1su6 h HIS 99 Cb -0.04 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 1su6 h HIS 99 CO -0.02 0.19 -0.32 -0.07 -1.30 0.00 0.00 177.93 176.41 1su6 h LEU 100 N 0.51 0.85 -0.65 0.26 3.38 -1.05 -1.66 115.31 116.96 1su6 h LEU 100 Ca 0.30 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1su6 h LEU 100 Cb 0.30 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1su6 h LEU 100 CO -0.25 1.10 0.17 0.00 0.09 0.00 0.00 178.44 179.55 1su6 h ALA 101 N 0.95 0.85 -0.24 1.53 0.00 -0.07 0.84 119.26 123.12 1su6 h ALA 101 Ca 0.07 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1su6 h ALA 101 Cb 0.87 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1su6 h ALA 101 CO 0.08 0.55 -0.14 0.45 0.00 0.00 0.00 179.25 180.19 1su6 h HIS 102 N 0.95 0.43 -0.20 0.00 3.86 -0.97 -1.69 115.15 117.51 1su6 h HIS 102 Ca 0.20 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1su6 h HIS 102 Cb 0.34 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1su6 h HIS 102 CO 0.02 0.53 -0.04 1.15 0.86 0.00 0.00 177.93 180.45 1su6 h THR 103 N 0.37 1.28 -0.55 2.45 2.02 -0.57 -0.16 112.91 117.75 1su6 h THR 103 Ca 0.07 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.25 1su6 h THR 103 Cb 0.47 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1su6 h THR 103 CO 0.03 0.31 0.36 0.25 0.37 0.00 0.00 175.52 176.84 1su6 h LEU 104 N 0.11 0.63 -0.18 2.58 5.85 -0.62 -1.29 115.31 122.40 1su6 h LEU 104 Ca 0.05 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1su6 h LEU 104 Cb 0.48 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1su6 h LEU 104 CO 0.02 0.45 0.05 0.50 -0.34 0.00 0.00 178.44 179.12 1su6 h LYS 105 N 0.74 0.13 -0.35 1.25 3.64 -1.17 -1.56 116.57 119.25 1su6 h LYS 105 Ca 0.21 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1su6 h LYS 105 Cb -0.08 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1su6 h LYS 105 CO -0.05 0.08 0.17 0.87 -2.27 0.00 0.00 179.45 178.25 1su6 h LYS 106 N 0.13 0.34 -0.34 1.90 1.57 -0.65 -1.91 116.57 117.61 1su6 h LYS 106 Ca 0.08 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1su6 h LYS 106 Cb 0.06 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.24 1su6 h LYS 106 CO -0.09 0.22 -0.04 0.00 -0.57 0.00 0.00 179.45 178.97 1su6 h ALA 107 N 1.19 0.27 -0.00 3.86 0.00 -1.01 0.89 119.26 124.45 1su6 h ALA 107 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1su6 h ALA 107 Cb 0.07 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1su6 h ALA 107 CO -0.11 -0.43 -0.07 1.33 0.00 0.00 0.00 179.25 179.97 1su6 n VAL 108 N -5.22 0.00 0.73 0.00 0.24 -0.61 -2.39 118.33 111.08 1su6 n VAL 108 Ca 0.01 -0.08 0.09 0.00 -2.04 0.00 0.00 64.34 62.32 1su6 n VAL 108 Cb 0.18 -0.07 0.26 0.00 -1.47 0.00 0.00 33.84 32.75 1su6 n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1su6 n GLN 109 N -0.77 2.02 -0.94 7.34 6.02 -0.74 -4.89 117.38 125.41 1su6 n GLN 109 Ca 0.17 -1.57 0.00 0.00 -0.01 0.00 0.00 57.00 55.59 1su6 n GLN 109 Cb 0.26 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.13 1su6 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1su6 n GLY 110 N 1.24 0.54 0.25 1.08 0.00 -1.00 -4.88 105.19 102.42 1su6 n GLY 110 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1su6 n GLY 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1su6 n LYS 111 N -1.99 0.91 -2.92 1.61 5.02 0.23 -4.59 118.16 116.42 1su6 n LYS 111 Ca 0.00 -0.51 -0.08 0.00 -2.02 0.00 0.00 58.31 55.70 1su6 n LYS 111 Cb 0.07 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.58 1su6 n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1su6 s ALA 112 N -2.44 -1.42 0.35 7.82 0.00 -1.16 -4.46 121.76 120.44 1su6 s ALA 112 Ca 0.26 -0.78 0.34 0.00 0.00 0.00 0.00 51.96 51.79 1su6 s ALA 112 Cb 0.20 -2.49 1.87 0.00 0.00 0.00 0.00 23.12 22.70 1su6 s ALA 112 CO 0.49 -2.19 2.05 0.00 0.00 0.00 0.00 175.76 176.12 1su6 h ALA 113 N 5.30 1.04 0.00 0.00 0.00 -1.86 -1.29 119.26 122.44 1su6 h ALA 113 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1su6 h ALA 113 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1su6 h ALA 113 CO 0.09 -0.04 0.00 0.77 0.00 0.00 0.00 179.25 180.07 1su6 h SER 114 N 0.00 0.00 -3.52 0.00 0.02 -1.92 -3.44 113.55 104.70 1su6 h SER 114 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 1su6 h SER 114 Cb 0.08 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.47 1su6 h SER 114 CO 0.00 0.00 -0.72 -0.31 -1.14 0.00 0.00 176.83 174.66 1su6 s TYR 115 N -3.42 2.79 0.24 3.45 1.51 -0.49 -5.06 117.35 116.37 1su6 s TYR 115 Ca 0.04 -0.13 -0.19 0.00 -1.01 0.00 0.00 57.07 55.77 1su6 s TYR 115 Cb 0.09 -1.45 0.02 0.00 -0.11 0.00 0.00 41.96 40.52 1su6 s TYR 115 CO 0.47 0.44 0.62 0.00 -1.11 0.00 0.00 175.55 175.97 1su6 s MET 116 N -2.23 1.59 -0.47 -0.62 0.23 -1.26 -4.85 119.30 111.69 1su6 s MET 116 Ca 0.22 -0.93 -0.28 0.00 -1.03 0.00 0.00 55.69 53.67 1su6 s MET 116 Cb -0.11 0.57 0.00 0.00 -1.53 0.00 0.00 34.83 33.76 1su6 s MET 116 CO 0.15 -0.70 1.50 0.42 -2.03 0.00 0.00 175.02 174.35 1su6 s ILE 117 N -3.90 3.76 -0.20 3.16 1.01 -1.26 -4.42 121.20 119.35 1su6 s ILE 117 Ca 0.11 0.72 -0.04 0.00 0.00 0.00 0.00 60.65 61.43 1su6 s ILE 117 Cb -0.03 -4.19 -0.21 0.00 0.01 0.00 0.00 42.46 38.04 1su6 s ILE 117 CO 0.02 -0.87 0.05 0.29 0.00 0.00 0.00 174.94 174.44 1su6 n LYS 118 N 8.42 0.69 -3.44 2.79 5.02 0.14 -4.68 118.16 127.10 1su6 n LYS 118 Ca 0.16 0.23 -0.44 0.00 -2.02 0.00 0.00 58.31 56.25 1su6 n LYS 118 Cb 0.49 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.84 1su6 n LYS 118 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1su6 s ASP 119 N -6.84 6.40 0.14 4.39 -1.08 -0.62 -4.88 116.67 114.18 1su6 s ASP 119 Ca -0.29 -2.86 -0.17 0.00 -0.52 0.00 0.00 52.55 48.71 1su6 s ASP 119 Cb 0.08 -2.11 -0.01 0.00 -1.46 0.00 0.00 42.92 39.42 1su6 s ASP 119 CO 0.67 -0.48 1.77 -0.09 0.52 0.00 0.00 175.17 177.56 1su6 h ARG 120 N 7.42 0.47 -0.70 4.34 2.43 -1.86 -1.31 114.38 125.16 1su6 h ARG 120 Ca 0.09 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1su6 h ARG 120 Cb 0.99 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.40 1su6 h ARG 120 CO 0.77 0.35 0.44 1.15 -1.51 0.00 0.00 179.97 181.16 1su6 h THR 121 N 0.46 1.08 -0.36 0.20 2.02 -2.00 -1.70 112.91 112.62 1su6 h THR 121 Ca 0.13 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 1su6 h THR 121 Cb -0.00 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 1su6 h THR 121 CO -0.02 0.15 0.04 0.50 0.37 0.00 0.00 175.52 176.56 1su6 h LYS 122 N 0.85 0.60 -0.50 6.66 1.63 -1.90 -1.07 116.57 122.83 1su6 h LYS 122 Ca 0.29 -0.17 0.10 0.00 -0.85 0.00 0.00 60.65 60.02 1su6 h LYS 122 Cb 0.04 -0.07 -0.10 0.00 -0.60 0.00 0.00 32.23 31.51 1su6 h LYS 122 CO -0.12 0.68 -0.14 1.25 -3.45 0.00 0.00 179.45 177.67 1su6 h LEU 123 N 0.43 -0.52 -0.71 5.20 5.85 -0.88 -0.94 115.31 123.75 1su6 h LEU 123 Ca 0.11 0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.87 1su6 h LEU 123 Cb 0.38 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1su6 h LEU 123 CO 0.01 -0.18 -0.22 0.45 -0.34 0.00 0.00 178.44 178.16 1su6 h HIS 124 N -0.02 0.86 -0.11 1.25 3.86 -1.14 -1.17 115.15 118.68 1su6 h HIS 124 Ca 0.24 -0.19 -0.17 0.00 -1.16 0.00 0.00 60.37 59.09 1su6 h HIS 124 Cb 0.39 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1su6 h HIS 124 CO -0.44 0.91 -0.64 0.66 0.86 0.00 0.00 177.93 179.28 1su6 h SER 125 N 0.67 0.47 -0.49 2.45 4.64 -0.55 -0.19 113.55 120.54 1su6 h SER 125 Ca 0.09 -0.28 -0.04 0.00 -0.47 0.00 0.00 61.79 61.10 1su6 h SER 125 Cb 0.72 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1su6 h SER 125 CO 0.06 0.98 0.17 0.40 -0.87 0.00 0.00 176.83 177.56 1su6 h ILE 126 N 0.30 1.22 -0.59 0.95 2.04 -1.13 -0.37 117.51 119.92 1su6 h ILE 126 Ca -0.01 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.16 1su6 h ILE 126 Cb 1.18 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 1su6 h ILE 126 CO 0.11 0.27 0.35 0.00 0.00 0.00 0.00 178.15 178.87 1su6 h ALA 127 N 1.02 0.77 -0.48 1.87 0.00 -0.97 -1.26 119.26 120.21 1su6 h ALA 127 Ca 0.16 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1su6 h ALA 127 Cb 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1su6 h ALA 127 CO -0.01 0.06 -0.05 -0.22 0.00 0.00 0.00 179.25 179.04 1su6 h LYS 128 N 0.68 0.83 0.00 0.00 3.64 -0.79 0.17 116.57 121.10 1su6 h LYS 128 Ca 0.25 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1su6 h LYS 128 Cb 0.06 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1su6 h LYS 128 CO -0.12 0.87 -0.42 -0.09 -2.27 0.00 0.00 179.45 177.41 1su6 h ARG 129 N 0.76 0.00 -0.00 1.90 2.43 -0.29 -2.38 114.38 116.81 1su6 h ARG 129 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1su6 h ARG 129 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1su6 h ARG 129 CO 0.03 0.42 -0.19 1.28 -1.51 0.00 0.00 179.97 180.01 1su6 n LEU 130 N -3.81 0.19 0.00 3.80 4.77 -0.55 -4.93 117.00 116.46 1su6 n LEU 130 Ca -0.01 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1su6 n LEU 130 Cb 0.48 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1su6 n LEU 130 CO 0.38 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1su6 n GLY 131 N 1.50 0.59 3.64 -0.72 0.00 -0.47 -5.03 105.19 104.69 1su6 n GLY 131 Ca 0.06 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1su6 n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1su6 s ILE 132 N -2.00 4.91 0.29 -0.61 1.01 0.49 -5.00 121.20 120.30 1su6 s ILE 132 Ca 0.00 1.35 -0.29 0.00 0.00 0.00 0.00 60.65 61.71 1su6 s ILE 132 Cb 0.00 -4.02 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 1su6 s ILE 132 CO 0.00 -0.02 1.33 -2.16 0.00 0.00 0.00 174.94 174.10 1su6 s PRO 133 N 2.63 4.34 -0.07 2.79 0.04 -1.26 -4.09 135.00 139.39 1su6 s PRO 133 Ca 0.31 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.57 1su6 s PRO 133 Cb -0.15 -3.10 -0.06 0.00 0.04 0.00 0.00 34.50 31.23 1su6 s PRO 133 CO 0.08 -0.24 -0.03 0.25 0.04 0.00 0.00 177.00 177.10 1su6 n THR 134 N 1.42 0.40 -1.05 1.26 -2.24 -1.26 -4.85 114.28 107.96 1su6 n THR 134 Ca 0.02 -0.19 -0.50 0.00 -2.27 0.00 0.00 64.05 61.12 1su6 n THR 134 Cb 0.42 -0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 67.76 1su6 n THR 134 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1su6 n GLU 135 N -2.51 0.00 -0.97 -0.78 0.00 -1.26 -0.25 120.64 114.86 1su6 n GLU 135 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.05 1su6 n GLU 135 Cb 0.65 -1.22 0.00 0.00 0.00 0.00 0.00 31.44 30.87 1su6 n GLU 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1su6 n GLY 136 N 5.89 0.84 3.88 -1.84 0.00 -1.26 -5.02 105.19 107.67 1su6 n GLY 136 Ca 0.43 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.11 1su6 n GLY 136 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1su6 s GLN 137 N -0.08 3.37 0.30 1.61 -1.52 0.66 -5.08 119.66 118.92 1su6 s GLN 137 Ca 0.00 -0.32 -0.29 0.00 -1.95 0.00 0.00 55.36 52.80 1su6 s GLN 137 Cb 0.00 -3.07 -0.11 0.00 -0.22 0.00 0.00 33.01 29.61 1su6 s GLN 137 CO 0.00 0.69 1.48 0.15 -0.25 0.00 0.00 175.29 177.36 1su6 s LYS 138 N -1.73 4.20 0.31 2.91 1.02 -1.26 -4.86 119.74 120.33 1su6 s LYS 138 Ca 0.24 2.43 0.08 0.00 0.02 0.00 0.00 55.97 58.75 1su6 s LYS 138 Cb -0.12 -3.05 0.88 0.00 -0.52 0.00 0.00 37.83 35.01 1su6 s LYS 138 CO 0.15 -0.48 1.68 -0.44 -0.92 0.00 0.00 175.35 175.35 1su6 h ASP 139 N 4.33 0.40 0.35 2.83 3.32 -1.98 0.51 116.42 126.18 1su6 h ASP 139 Ca -0.48 0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.68 1su6 h ASP 139 Cb 1.22 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 1su6 h ASP 139 CO 0.74 -0.05 -0.29 -0.33 -1.72 0.00 0.00 179.24 177.58 1su6 h GLU 140 N 0.38 0.00 0.07 3.56 3.07 -1.93 -0.75 114.58 118.97 1su6 h GLU 140 Ca 0.63 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 59.21 1su6 h GLU 140 Cb 1.31 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.24 1su6 h GLU 140 CO -0.57 0.29 -1.15 -0.44 -1.40 0.00 0.00 179.01 175.74 1su6 h ASP 141 N 0.00 0.85 -0.74 1.42 3.32 -1.30 -1.22 116.42 118.75 1su6 h ASP 141 Ca -0.00 -0.74 -0.02 0.00 0.02 0.00 0.00 57.03 56.29 1su6 h ASP 141 Cb 0.55 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1su6 h ASP 141 CO 0.04 1.54 0.37 -0.29 -1.72 0.00 0.00 179.24 179.19 1su6 h ILE 142 N 0.31 1.23 -0.33 0.35 2.10 -1.11 -1.75 117.51 118.31 1su6 h ILE 142 Ca -0.16 -0.63 -0.08 0.00 1.08 0.00 0.00 64.86 65.07 1su6 h ILE 142 Cb 1.81 0.29 -0.02 0.00 -1.09 0.00 0.00 36.82 37.82 1su6 h ILE 142 CO 0.22 0.27 -0.15 0.00 -1.08 0.00 0.00 178.15 177.41 1su6 h ALA 143 N 1.19 1.12 -0.44 0.18 0.00 -1.09 0.07 119.26 120.29 1su6 h ALA 143 Ca 0.26 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1su6 h ALA 143 Cb 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1su6 h ALA 143 CO -0.04 0.55 0.26 1.25 0.00 0.00 0.00 179.25 181.27 1su6 h LEU 144 N 0.54 0.42 -0.76 0.00 5.85 -0.82 0.19 115.31 120.73 1su6 h LEU 144 Ca 0.09 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 1su6 h LEU 144 Cb 0.57 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1su6 h LEU 144 CO 0.04 0.30 -0.21 -0.33 -0.34 0.00 0.00 178.44 177.90 1su6 h GLU 145 N 0.52 0.71 -0.23 1.25 4.39 -0.68 -0.04 114.58 120.51 1su6 h GLU 145 Ca 0.17 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 1su6 h GLU 145 Cb 0.01 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1su6 h GLU 145 CO -0.08 0.86 -0.14 0.28 -1.16 0.00 0.00 179.01 178.77 1su6 h VAL 146 N 0.62 1.31 -0.97 3.13 2.07 -0.68 -0.23 116.25 121.51 1su6 h VAL 146 Ca 0.09 -1.25 0.05 0.00 0.82 0.00 0.00 66.70 66.41 1su6 h VAL 146 Cb 0.70 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 1su6 h VAL 146 CO 0.05 0.38 0.63 0.00 0.02 0.00 0.00 177.57 178.66 1su6 h ALA 147 N 0.70 1.40 -0.23 1.67 0.00 -0.76 0.07 119.26 122.10 1su6 h ALA 147 Ca 0.05 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1su6 h ALA 147 Cb 0.66 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1su6 h ALA 147 CO 0.04 0.49 0.10 0.87 0.00 0.00 0.00 179.25 180.75 1su6 h LYS 148 N 1.18 0.21 -0.81 0.00 1.57 -0.76 -1.25 116.57 116.72 1su6 h LYS 148 Ca 0.40 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 1su6 h LYS 148 Cb 0.07 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1su6 h LYS 148 CO -0.13 0.14 0.48 0.00 -0.57 0.00 0.00 179.45 179.37 1su6 h ALA 149 N 1.13 1.04 -0.34 3.86 0.00 -0.59 -0.36 119.26 123.99 1su6 h ALA 149 Ca 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1su6 h ALA 149 Cb 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1su6 h ALA 149 CO -0.08 0.51 0.19 0.00 0.00 0.00 0.00 179.25 179.87 1su6 h ALA 150 N 1.26 0.42 -0.21 0.00 0.00 -0.57 -2.50 119.26 117.67 1su6 h ALA 150 Ca 0.29 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1su6 h ALA 150 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1su6 h ALA 150 CO -0.05 -0.17 -0.23 -0.07 0.00 0.00 0.00 179.25 178.72 1su6 h LEU 151 N 0.39 0.37 -1.14 0.00 3.38 -0.90 -2.88 115.31 114.53 1su6 h LEU 151 Ca 0.14 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1su6 h LEU 151 Cb 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1su6 h LEU 151 CO -0.07 0.62 -0.32 0.00 0.09 0.00 0.00 178.44 178.75 1su6 h ALA 152 N 1.42 1.09 0.00 1.53 0.00 -0.65 -2.41 119.26 120.23 1su6 h ALA 152 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1su6 h ALA 152 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1su6 h ALA 152 CO 0.04 0.40 0.00 -0.25 0.00 0.00 0.00 179.25 179.45 1su6 n ASP 153 N -3.60 0.00 0.11 0.00 9.92 -0.98 -2.45 116.55 119.54 1su6 n ASP 153 Ca -0.01 0.05 0.13 0.00 -0.53 0.00 0.00 54.79 54.43 1su6 n ASP 153 Cb 0.45 -0.28 0.38 0.00 -0.64 0.00 0.00 41.12 41.03 1su6 n ASP 153 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1su6 h PHE 154 N 0.00 0.00 -3.73 1.24 0.04 -1.57 0.47 116.94 113.39 1su6 h PHE 154 Ca 0.00 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.43 1su6 h PHE 154 Cb 0.15 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.16 1su6 h PHE 154 CO 0.00 0.00 -0.62 -3.38 -0.60 0.00 0.00 178.31 173.71 1su6 s HIS 155 N -3.11 1.49 0.56 -0.55 -3.43 -1.03 -0.48 115.29 108.74 1su6 s HIS 155 Ca 0.10 -1.14 -0.21 0.00 -0.80 0.00 0.00 55.06 53.01 1su6 s HIS 155 Cb 0.12 -0.87 -0.04 0.00 -1.43 0.00 0.00 32.58 30.35 1su6 s HIS 155 CO 0.61 -0.29 1.34 -1.21 -2.00 0.00 0.00 174.74 173.19 1su6 s GLU 156 N -4.00 3.09 0.00 -0.38 2.02 -1.26 -4.47 118.70 113.69 1su6 s GLU 156 Ca 0.35 2.19 0.00 0.00 0.02 0.00 0.00 54.97 57.53 1su6 s GLU 156 Cb 0.07 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 32.10 1su6 s GLU 156 CO 0.12 -1.22 0.00 0.36 0.02 0.00 0.00 175.26 174.54 1su6 n LYS 157 N -1.13 0.00 0.21 1.61 2.85 -1.26 -5.02 118.16 115.42 1su6 n LYS 157 Ca 0.11 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.51 1su6 n LYS 157 Cb 0.46 0.00 0.51 0.00 -0.65 0.00 0.00 35.03 35.34 1su6 n LYS 157 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1su6 h ASP 158 N 0.00 0.00 -2.12 -5.58 3.32 -1.97 -3.43 116.42 106.63 1su6 h ASP 158 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 1su6 h ASP 158 Cb 0.00 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.43 1su6 h ASP 158 CO 0.00 0.00 -0.69 0.42 -1.72 0.00 0.00 179.24 177.25 1su6 s THR 159 N -3.43 2.79 0.53 0.35 -4.23 -1.26 -5.14 115.64 105.25 1su6 s THR 159 Ca 0.04 -2.15 -0.09 0.00 -1.18 0.00 0.00 61.69 58.32 1su6 s THR 159 Cb 0.09 -2.60 0.13 0.00 1.34 0.00 0.00 72.50 71.45 1su6 s THR 159 CO 0.54 -0.33 0.59 -0.81 -0.54 0.00 0.00 174.62 174.06 1su6 n PRO 160 N -0.79 -1.29 -2.07 3.99 -0.04 -1.26 -4.91 135.00 128.63 1su6 n PRO 160 Ca -0.05 -0.92 -0.43 0.00 -0.04 0.00 0.00 63.50 62.06 1su6 n PRO 160 Cb 0.60 -0.72 -0.03 0.00 -0.04 0.00 0.00 33.50 33.32 1su6 n PRO 160 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1su6 s VAL 161 N -2.19 3.60 0.18 0.52 1.01 -0.83 -4.86 120.40 117.83 1su6 s VAL 161 Ca 0.35 0.64 0.22 0.00 0.00 0.00 0.00 61.98 63.19 1su6 s VAL 161 Cb -0.02 -3.71 0.19 0.00 0.00 0.00 0.00 36.38 32.84 1su6 s VAL 161 CO 0.26 -0.38 1.81 -0.07 0.00 0.00 0.00 175.10 176.71 1su6 h LEU 162 N 12.64 0.00 0.00 3.92 3.38 -1.92 -1.67 115.31 131.67 1su6 h LEU 162 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1su6 h LEU 162 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1su6 h LEU 162 CO 1.02 0.29 0.00 0.79 0.09 0.00 0.00 178.44 180.63 1su6 n TRP 163 N -3.50 0.00 -0.04 1.13 8.01 -1.26 -1.37 117.44 120.41 1su6 n TRP 163 Ca -0.00 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.11 1su6 n TRP 163 Cb 0.45 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.72 1su6 n TRP 163 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1su6 n VAL 164 N -0.51 1.25 0.25 -0.99 0.31 -0.74 -4.19 118.33 113.71 1su6 n VAL 164 Ca 0.00 0.14 0.13 0.00 -0.01 0.00 0.00 64.34 64.60 1su6 n VAL 164 Cb 0.00 -1.93 0.58 0.00 -0.91 0.00 0.00 33.84 31.58 1su6 n VAL 164 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1su6 h THR 165 N -0.55 0.37 -0.03 2.52 1.35 -1.30 -2.82 112.91 112.45 1su6 h THR 165 Ca -0.10 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1su6 h THR 165 Cb 0.75 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1su6 h THR 165 CO -0.06 0.13 -0.03 0.35 -0.25 0.00 0.00 175.52 175.66 1su6 n THR 166 N -3.32 0.00 0.38 6.82 -2.24 -0.47 -4.29 114.28 111.16 1su6 n THR 166 Ca -0.00 -0.43 0.04 0.00 -2.27 0.00 0.00 64.05 61.39 1su6 n THR 166 Cb 0.36 1.28 -0.00 0.00 -2.10 0.00 0.00 70.33 69.87 1su6 n THR 166 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1su6 n VAL 167 N 1.02 0.00 -4.24 2.28 0.24 -1.07 -4.98 118.33 111.58 1su6 n VAL 167 Ca 0.15 -0.41 -0.30 0.00 -2.04 0.00 0.00 64.34 61.74 1su6 n VAL 167 Cb 0.54 1.10 -0.10 0.00 -1.47 0.00 0.00 33.84 33.92 1su6 n VAL 167 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1su6 s LEU 168 N -1.51 2.99 0.55 1.34 1.43 -1.19 -4.83 118.68 117.47 1su6 s LEU 168 Ca 0.07 -0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 52.56 1su6 s LEU 168 Cb 0.07 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 1su6 s LEU 168 CO 0.22 0.18 1.20 -2.84 0.23 0.00 0.00 176.35 175.34 1su6 s PRO 169 N -2.20 3.20 0.32 1.29 0.02 -1.26 -4.74 135.00 131.63 1su6 s PRO 169 Ca 0.21 1.83 0.10 0.00 0.02 0.00 0.00 61.00 63.16 1su6 s PRO 169 Cb -0.11 -2.07 0.93 0.00 0.02 0.00 0.00 34.50 33.27 1su6 s PRO 169 CO 0.13 -1.02 1.71 -1.35 -0.33 0.00 0.00 177.00 176.14 1su6 h PRO 170 N 1.22 0.47 -0.93 5.54 0.11 -1.99 -0.37 132.00 136.05 1su6 h PRO 170 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1su6 h PRO 170 Cb 1.28 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1su6 h PRO 170 CO 0.57 0.31 0.59 0.66 -0.21 0.00 0.00 178.00 179.92 1su6 h SER 171 N 0.49 1.09 -0.30 -2.05 4.64 -1.98 -0.20 113.55 115.24 1su6 h SER 171 Ca 0.66 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.85 1su6 h SER 171 Cb 1.34 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1su6 h SER 171 CO -0.52 0.81 -0.16 -0.09 -0.87 0.00 0.00 176.83 176.00 1su6 h ARG 172 N 1.27 0.64 -0.73 4.77 9.65 -1.44 -2.36 114.38 126.17 1su6 h ARG 172 Ca 0.34 -0.29 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1su6 h ARG 172 Cb -0.11 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.42 1su6 h ARG 172 CO -0.07 0.87 0.46 0.28 2.80 0.00 0.00 179.97 184.31 1su6 h VAL 173 N 0.39 1.20 -0.75 0.20 2.07 -0.91 -1.26 116.25 117.19 1su6 h VAL 173 Ca 0.06 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 1su6 h VAL 173 Cb 0.69 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1su6 h VAL 173 CO 0.05 0.21 0.31 0.50 0.02 0.00 0.00 177.57 178.66 1su6 h LYS 174 N 1.00 1.12 -0.47 1.57 3.64 -0.96 0.25 116.57 122.71 1su6 h LYS 174 Ca 0.27 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1su6 h LYS 174 Cb -0.06 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 1su6 h LYS 174 CO -0.05 0.90 0.31 0.28 -2.27 0.00 0.00 179.45 178.62 1su6 h VAL 175 N 1.08 1.13 -0.29 2.00 2.07 -1.00 -0.63 116.25 120.60 1su6 h VAL 175 Ca 0.25 -0.24 -0.17 0.00 0.82 0.00 0.00 66.70 67.37 1su6 h VAL 175 Cb 0.19 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1su6 h VAL 175 CO -0.02 0.12 -0.47 -0.07 0.02 0.00 0.00 177.57 177.15 1su6 h LEU 176 N 0.64 0.91 -1.21 2.57 3.38 -0.79 -2.82 115.31 117.98 1su6 h LEU 176 Ca 0.17 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1su6 h LEU 176 Cb -0.06 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 1su6 h LEU 176 CO -0.04 1.25 0.54 0.28 0.09 0.00 0.00 178.44 180.56 1su6 h SER 177 N 0.59 0.90 0.01 -0.43 0.02 -0.38 0.13 113.55 114.39 1su6 h SER 177 Ca 0.02 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1su6 h SER 177 Cb 1.07 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 1su6 h SER 177 CO 0.11 0.63 -0.01 0.00 -1.14 0.00 0.00 176.83 176.42 1su6 h ALA 178 N 1.51 1.95 -0.66 3.77 0.00 -0.86 -0.31 119.26 124.66 1su6 h ALA 178 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1su6 h ALA 178 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1su6 h ALA 178 CO -0.08 0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.90 1su6 n HIS 179 N -4.48 1.20 -2.42 0.00 8.25 -0.79 -4.95 115.22 112.03 1su6 n HIS 179 Ca -0.03 -0.56 -0.15 0.00 -0.26 0.00 0.00 57.72 56.72 1su6 n HIS 179 Cb 0.10 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1su6 n HIS 179 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1su6 n GLY 180 N 1.27 -0.22 0.63 -1.41 0.00 -0.13 -4.91 105.19 100.42 1su6 n GLY 180 Ca 0.24 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1su6 n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1su6 n LEU 181 N -2.32 2.16 -4.68 0.99 4.77 0.40 -4.90 117.00 113.41 1su6 n LEU 181 Ca -0.15 -0.73 -0.43 0.00 -0.03 0.00 0.00 56.01 54.67 1su6 n LEU 181 Cb 0.62 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.67 1su6 n LEU 181 CO 0.24 0.38 0.93 -0.63 -1.33 0.00 0.00 177.39 176.97 1su6 s ILE 182 N -2.23 4.46 0.39 -0.08 -1.09 -1.26 -4.30 121.20 117.08 1su6 s ILE 182 Ca 0.26 1.76 -0.27 0.00 -2.23 0.00 0.00 60.65 60.17 1su6 s ILE 182 Cb 0.19 -4.13 -0.10 0.00 -1.58 0.00 0.00 42.46 36.85 1su6 s ILE 182 CO 0.43 -0.05 1.38 -2.84 -1.23 0.00 0.00 174.94 172.63 1su6 s PRO 183 N 2.53 4.04 0.17 2.79 0.02 -1.26 -4.94 135.00 138.35 1su6 s PRO 183 Ca 0.52 2.33 0.11 0.00 0.02 0.00 0.00 61.00 63.98 1su6 s PRO 183 Cb -0.21 -2.87 -0.10 0.00 0.02 0.00 0.00 34.50 31.34 1su6 s PRO 183 CO 0.17 -0.50 1.30 0.00 -0.33 0.00 0.00 177.00 177.65 1su6 h ALA 184 N 2.86 0.51 -1.20 -1.55 0.00 -1.94 -2.20 119.26 115.73 1su6 h ALA 184 Ca -0.50 -0.75 0.18 0.00 0.00 0.00 0.00 54.91 53.83 1su6 h ALA 184 Cb 1.24 -0.08 -0.28 0.00 0.00 0.00 0.00 17.79 18.66 1su6 h ALA 184 CO 0.63 1.01 0.81 0.20 0.00 0.00 0.00 179.25 181.90 1su6 s GLY 185 N -4.63 0.09 0.01 0.00 0.00 -1.26 -4.07 107.32 97.46 1su6 s GLY 185 Ca 0.02 2.92 -0.25 0.00 0.00 0.00 0.00 44.72 47.41 1su6 s GLY 185 CO 0.79 1.46 1.27 -2.22 0.00 0.00 0.00 173.10 174.40 1su6 h ILE 186 N 2.65 0.82 0.00 0.90 2.04 -0.53 -1.06 117.51 122.33 1su6 h ILE 186 Ca -0.18 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 64.95 1su6 h ILE 186 Cb 1.19 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1su6 h ILE 186 CO 0.21 0.13 -0.39 0.44 0.00 0.00 0.00 178.15 178.55 1su6 h ASP 187 N -0.67 0.00 -0.34 1.72 3.32 -1.04 -2.47 116.42 116.93 1su6 h ASP 187 Ca -0.03 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.06 1su6 h ASP 187 Cb 0.47 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 1su6 h ASP 187 CO 0.05 0.39 0.12 -0.74 -1.72 0.00 0.00 179.24 177.34 1su6 h HIS 188 N 0.00 0.21 -0.48 4.55 -0.00 -1.33 -1.85 115.15 116.25 1su6 h HIS 188 Ca -0.00 0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.26 1su6 h HIS 188 Cb 0.87 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.22 1su6 h HIS 188 CO 0.00 0.09 -0.17 0.93 -0.00 0.00 0.00 177.93 178.78 1su6 h GLU 189 N 0.27 0.95 -0.17 5.26 4.39 -0.87 -0.50 114.58 123.90 1su6 h GLU 189 Ca 0.15 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1su6 h GLU 189 Cb 0.13 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1su6 h GLU 189 CO -0.16 1.04 0.10 0.82 -1.16 0.00 0.00 179.01 179.65 1su6 h ILE 190 N 0.83 1.03 -0.66 3.13 2.04 -1.20 -0.71 117.51 121.96 1su6 h ILE 190 Ca 0.12 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 1su6 h ILE 190 Cb 0.72 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1su6 h ILE 190 CO 0.06 0.04 0.10 0.00 0.00 0.00 0.00 178.15 178.35 1su6 h ALA 191 N 1.07 0.88 -0.31 1.87 0.00 -1.24 -2.09 119.26 119.44 1su6 h ALA 191 Ca 0.07 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1su6 h ALA 191 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1su6 h ALA 191 CO -0.03 0.65 -0.04 1.49 0.00 0.00 0.00 179.25 181.32 1su6 h GLU 192 N 1.02 0.49 -0.53 0.00 4.81 -0.74 -0.07 114.58 119.55 1su6 h GLU 192 Ca 0.20 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1su6 h GLU 192 Cb 0.45 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1su6 h GLU 192 CO 0.01 0.55 0.17 0.82 -0.73 0.00 0.00 179.01 179.83 1su6 h ILE 193 N 0.46 1.23 -0.19 2.32 1.08 -0.78 0.40 117.51 122.04 1su6 h ILE 193 Ca 0.10 -0.78 -0.09 0.00 -0.39 0.00 0.00 64.86 63.69 1su6 h ILE 193 Cb 0.37 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 1su6 h ILE 193 CO 0.02 0.29 -0.29 0.24 -0.69 0.00 0.00 178.15 177.72 1su6 h MET 194 N 0.73 0.37 0.68 2.37 2.86 -0.70 -1.56 114.93 119.67 1su6 h MET 194 Ca 0.17 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1su6 h MET 194 Cb 0.27 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.92 1su6 h MET 194 CO -0.01 0.62 -0.32 1.25 1.06 0.00 0.00 176.91 179.51 1su6 h HIS 195 N 0.32 -0.84 0.00 -0.22 -0.00 -0.82 -2.86 115.15 110.73 1su6 h HIS 195 Ca 0.05 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 1su6 h HIS 195 Cb 0.67 0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 28.36 1su6 h HIS 195 CO 0.02 -0.50 -0.03 0.07 -0.00 0.00 0.00 177.93 177.49 1su6 h ARG 196 N -1.17 0.00 -0.02 5.26 0.11 -0.76 -1.55 114.38 116.26 1su6 h ARG 196 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 1su6 h ARG 196 Cb 0.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 1su6 h ARG 196 CO 0.15 0.03 -0.22 0.25 0.10 0.00 0.00 179.97 180.28 1su6 n THR 197 N -3.65 0.00 -1.53 0.08 -2.24 -0.60 -1.14 114.28 105.20 1su6 n THR 197 Ca -0.03 -0.29 -0.29 0.00 -2.27 0.00 0.00 64.05 61.18 1su6 n THR 197 Cb 0.12 0.97 0.15 0.00 -2.10 0.00 0.00 70.33 69.48 1su6 n THR 197 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1su6 s SER 198 N -2.28 3.14 0.47 3.42 1.04 -0.58 -4.95 113.70 113.96 1su6 s SER 198 Ca 0.26 0.84 -0.24 0.00 0.48 0.00 0.00 55.95 57.29 1su6 s SER 198 Cb 0.19 -1.31 -0.07 0.00 0.10 0.00 0.00 66.02 64.93 1su6 s SER 198 CO 0.45 -2.77 1.33 -0.32 0.98 0.00 0.00 173.24 172.91 1su6 s MET 199 N -5.36 3.62 -1.60 4.02 1.75 -1.26 -2.93 119.30 117.53 1su6 s MET 199 Ca 0.66 2.19 -0.02 0.00 -1.25 0.00 0.00 55.69 57.26 1su6 s MET 199 Cb -0.13 -2.53 0.01 0.00 2.84 0.00 0.00 34.83 35.02 1su6 s MET 199 CO 0.54 -0.79 0.26 0.41 -0.65 0.00 0.00 175.02 174.78 1su6 n GLY 200 N 0.63 -0.51 0.00 2.11 0.00 -1.26 -4.96 105.19 101.20 1su6 n GLY 200 Ca 0.07 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1su6 n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su6 s ASP 202 N 0.52 6.61 -0.36 0.00 2.15 -0.29 -4.91 116.67 120.38 1su6 s ASP 202 Ca 0.00 2.62 0.14 0.00 0.43 0.00 0.00 52.55 55.74 1su6 s ASP 202 Cb 0.00 -2.60 0.42 0.00 -0.30 0.00 0.00 42.92 40.44 1su6 s ASP 202 CO 0.00 -0.79 1.07 0.00 -0.17 0.00 0.00 175.17 175.28 1su6 n ALA 203 N 3.52 2.33 -3.68 3.66 0.00 -1.26 -4.83 120.51 120.24 1su6 n ALA 203 Ca 0.12 -2.47 -0.19 0.00 0.00 0.00 0.00 53.44 50.90 1su6 n ALA 203 Cb 0.39 -0.97 -0.17 0.00 0.00 0.00 0.00 19.45 18.70 1su6 n ALA 203 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1su6 s ASP 204 N -2.33 0.94 0.15 0.00 2.15 -1.26 -4.98 116.67 111.34 1su6 s ASP 204 Ca 0.26 0.14 -0.17 0.00 0.43 0.00 0.00 52.55 53.22 1su6 s ASP 204 Cb 0.42 -0.03 0.01 0.00 -0.30 0.00 0.00 42.92 43.02 1su6 s ASP 204 CO -0.02 -0.24 1.81 0.00 -0.17 0.00 0.00 175.17 176.55 1su6 h ALA 205 N 8.31 0.49 -0.37 3.66 0.00 -1.96 -0.28 119.26 129.11 1su6 h ALA 205 Ca -0.16 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1su6 h ALA 205 Cb 1.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1su6 h ALA 205 CO 0.18 -0.05 0.24 0.37 0.00 0.00 0.00 179.25 179.99 1su6 h GLN 206 N 0.52 0.48 -0.73 0.00 5.75 -1.97 -0.52 115.11 118.64 1su6 h GLN 206 Ca 0.14 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1su6 h GLN 206 Cb -0.06 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.35 1su6 h GLN 206 CO -0.03 0.32 0.48 -0.97 -2.65 0.00 0.00 178.83 175.97 1su6 h ASN 207 N 0.49 0.84 -0.36 -0.69 -1.24 -1.89 -1.28 115.58 111.45 1su6 h ASN 207 Ca 0.14 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 1su6 h ASN 207 Cb -0.05 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.77 1su6 h ASN 207 CO -0.03 0.61 0.19 -0.07 -1.29 0.00 0.00 177.43 176.84 1su6 h LEU 208 N 0.99 0.45 -0.61 0.34 3.38 -0.61 -2.53 115.31 116.72 1su6 h LEU 208 Ca 0.27 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 1su6 h LEU 208 Cb -0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1su6 h LEU 208 CO -0.06 0.42 -0.62 -0.07 0.09 0.00 0.00 178.44 178.21 1su6 h LEU 209 N 0.45 0.31 -0.44 1.67 3.38 -0.78 -1.40 115.31 118.51 1su6 h LEU 209 Ca 0.13 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1su6 h LEU 209 Cb 0.07 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1su6 h LEU 209 CO -0.02 0.85 0.28 -0.07 0.09 0.00 0.00 178.44 179.57 1su6 h LEU 210 N 0.20 0.51 -0.83 1.67 3.38 -1.14 0.47 115.31 119.58 1su6 h LEU 210 Ca -0.01 -0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.05 1su6 h LEU 210 Cb 1.13 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 1su6 h LEU 210 CO 0.10 0.39 0.45 1.23 0.09 0.00 0.00 178.44 180.69 1su6 h GLY 211 N 0.59 1.31 1.00 0.83 0.00 -1.12 -2.10 103.07 103.58 1su6 h GLY 211 Ca 0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 1su6 h GLY 211 CO -0.03 0.05 0.20 -1.33 0.00 0.00 0.00 176.54 175.43 1su6 h GLY 212 N 0.71 0.98 0.69 4.60 0.00 -0.39 -0.35 103.07 109.31 1su6 h GLY 212 Ca 0.42 -0.57 0.05 0.00 0.00 0.00 0.00 47.33 47.23 1su6 h GLY 212 CO -0.30 0.53 0.20 1.41 0.00 0.00 0.00 176.54 178.38 1su6 h LEU 213 N 0.83 0.25 -0.47 3.11 3.38 -0.52 0.25 115.31 122.14 1su6 h LEU 213 Ca 0.19 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1su6 h LEU 213 Cb 0.26 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1su6 h LEU 213 CO -0.01 0.18 0.18 -0.09 0.09 0.00 0.00 178.44 178.80 1su6 h ARG 214 N 0.39 0.71 -0.28 1.13 2.43 -1.18 -1.85 114.38 115.73 1su6 h ARG 214 Ca 0.20 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1su6 h ARG 214 Cb 0.15 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1su6 h ARG 214 CO -0.17 0.65 -0.06 0.00 -1.51 0.00 0.00 179.97 178.88 1su6 h SER 216 N 0.43 0.72 0.56 0.00 4.64 -0.32 -1.02 113.55 118.57 1su6 h SER 216 Ca 0.09 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.30 1su6 h SER 216 Cb 0.37 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1su6 h SER 216 CO 0.02 0.57 -0.31 -0.07 -0.87 0.00 0.00 176.83 176.16 1su6 h LEU 217 N 0.83 0.00 -1.09 5.97 3.38 -0.52 0.26 115.31 124.15 1su6 h LEU 217 Ca 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1su6 h LEU 217 Cb -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1su6 h LEU 217 CO -0.04 0.31 0.13 0.00 0.09 0.00 0.00 178.44 178.94 1su6 h ALA 218 N 1.69 1.27 -0.53 1.53 0.00 -0.60 -1.13 119.26 121.48 1su6 h ALA 218 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1su6 h ALA 218 Cb 0.68 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1su6 h ALA 218 CO 0.04 0.51 0.10 0.22 0.00 0.00 0.00 179.25 180.13 1su6 h ASP 219 N 0.75 0.83 -0.74 0.00 1.82 -0.12 -1.84 116.42 117.12 1su6 h ASP 219 Ca 0.17 -0.25 0.04 0.00 -0.39 0.00 0.00 57.03 56.60 1su6 h ASP 219 Cb 0.27 -0.22 -0.05 0.00 0.68 0.00 0.00 39.33 40.01 1su6 h ASP 219 CO -0.00 0.87 0.46 0.25 -1.61 0.00 0.00 179.24 179.20 1su6 h LEU 220 N 0.76 0.74 -0.29 2.28 5.85 -0.65 -0.32 115.31 123.68 1su6 h LEU 220 Ca 0.16 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.95 1su6 h LEU 220 Cb 0.38 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1su6 h LEU 220 CO 0.01 0.50 -0.04 0.00 -0.34 0.00 0.00 178.44 178.56 1su6 h ALA 221 N 1.33 0.22 -0.77 1.25 0.00 -1.03 0.11 119.26 120.36 1su6 h ALA 221 Ca 0.31 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1su6 h ALA 221 Cb 0.07 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1su6 h ALA 221 CO -0.13 -0.44 0.35 0.78 0.00 0.00 0.00 179.25 179.81 1su6 h GLY 222 N 0.04 1.20 0.96 0.00 0.00 -0.66 0.10 103.07 104.72 1su6 h GLY 222 Ca 0.14 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 1su6 h GLY 222 CO -0.27 0.57 0.07 0.00 0.00 0.00 0.00 176.54 176.92 1su6 h TYR 224 N 0.12 0.96 -0.76 0.00 5.03 -0.51 -1.47 116.97 120.34 1su6 h TYR 224 Ca 0.04 -0.10 -0.02 0.00 2.58 0.00 0.00 58.73 61.23 1su6 h TYR 224 Cb 0.04 -0.28 -0.04 0.00 1.55 0.00 0.00 36.73 38.00 1su6 h TYR 224 CO -0.05 0.80 0.40 1.98 -1.32 0.00 0.00 178.16 179.96 1su6 h MET 225 N 0.84 1.07 -0.52 1.82 4.05 -0.75 -0.48 114.93 120.95 1su6 h MET 225 Ca 0.19 -0.14 0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1su6 h MET 225 Cb 0.30 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 1su6 h MET 225 CO -0.00 0.80 0.34 0.78 0.23 0.00 0.00 176.91 179.06 1su6 h GLY 226 N 1.05 0.74 0.83 1.39 0.00 -0.68 -0.73 103.07 105.67 1su6 h GLY 226 Ca 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1su6 h GLY 226 CO -0.04 0.26 0.03 -0.84 0.00 0.00 0.00 176.54 175.95 1su6 h THR 227 N 0.69 1.21 -0.34 4.70 2.02 -1.03 -0.81 112.91 119.35 1su6 h THR 227 Ca 0.19 -0.66 0.06 0.00 0.77 0.00 0.00 66.41 66.77 1su6 h THR 227 Cb -0.06 1.35 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 1su6 h THR 227 CO -0.05 0.20 0.03 0.44 0.37 0.00 0.00 175.52 176.51 1su6 h ASP 228 N 0.04 -0.06 -0.26 4.18 3.32 -0.95 -0.08 116.42 122.62 1su6 h ASP 228 Ca 0.05 0.07 -0.17 0.00 0.02 0.00 0.00 57.03 56.99 1su6 h ASP 228 Cb 0.27 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1su6 h ASP 228 CO 0.00 0.00 -0.51 -0.07 -1.72 0.00 0.00 179.24 176.95 1su6 h LEU 229 N 0.14 0.89 -0.88 1.55 3.38 -1.05 -1.62 115.31 117.73 1su6 h LEU 229 Ca 0.16 -0.54 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 1su6 h LEU 229 Cb 0.21 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1su6 h LEU 229 CO -0.25 1.27 -0.03 0.00 0.09 0.00 0.00 178.44 179.53 1su6 h ALA 230 N 0.65 1.07 -0.58 1.53 0.00 -1.02 -1.62 119.26 119.29 1su6 h ALA 230 Ca 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1su6 h ALA 230 Cb 1.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1su6 h ALA 230 CO 0.11 0.58 0.22 -0.44 0.00 0.00 0.00 179.25 179.73 1su6 h ASP 231 N 0.74 0.81 -0.65 0.00 3.32 -0.89 0.17 116.42 119.92 1su6 h ASP 231 Ca 0.14 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.03 1su6 h ASP 231 Cb 0.49 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 1su6 h ASP 231 CO 0.02 0.77 0.42 0.40 -1.72 0.00 0.00 179.24 179.14 1su6 h ILE 232 N 0.81 1.14 0.10 0.35 2.04 -0.95 0.26 117.51 121.25 1su6 h ILE 232 Ca 0.19 -0.29 -0.26 0.00 1.00 0.00 0.00 64.86 65.50 1su6 h ILE 232 Cb 0.22 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1su6 h ILE 232 CO -0.01 0.16 -1.16 -0.07 0.00 0.00 0.00 178.15 177.06 1su6 h LEU 233 N 0.85 0.43 -0.50 1.44 3.38 -1.12 0.70 115.31 120.50 1su6 h LEU 233 Ca 0.25 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1su6 h LEU 233 Cb -0.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1su6 h LEU 233 CO -0.07 1.31 0.00 0.49 0.09 0.00 0.00 178.44 180.26 1su6 n PHE 234 N -3.58 0.00 0.00 1.13 3.72 0.57 -4.10 117.46 115.20 1su6 n PHE 234 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1su6 n PHE 234 Cb 0.97 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 1su6 n PHE 234 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1su6 n GLY 235 N 0.42 2.25 3.71 1.37 0.00 0.07 -4.98 105.19 108.04 1su6 n GLY 235 Ca 0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1su6 n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1su6 s THR 236 N -0.80 3.59 0.60 2.61 2.01 -1.24 -4.57 115.64 117.84 1su6 s THR 236 Ca 0.00 1.12 -0.20 0.00 0.31 0.00 0.00 61.69 62.93 1su6 s THR 236 Cb 0.00 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1su6 s THR 236 CO 0.00 0.07 1.24 -2.65 -0.69 0.00 0.00 174.62 172.59 1su6 n PRO 237 N 4.18 1.27 -4.19 4.92 -0.02 -1.26 -5.05 135.00 134.85 1su6 n PRO 237 Ca 0.11 0.48 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 1su6 n PRO 237 Cb 0.44 -2.45 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 1su6 n PRO 237 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1su6 s ALA 238 N -1.37 1.11 0.22 3.55 0.00 -1.17 -4.22 121.76 119.88 1su6 s ALA 238 Ca 0.77 -1.39 -0.31 0.00 0.00 0.00 0.00 51.96 51.03 1su6 s ALA 238 Cb -0.41 0.13 -0.15 0.00 0.00 0.00 0.00 23.12 22.69 1su6 s ALA 238 CO 0.45 -0.19 1.19 -2.30 0.00 0.00 0.00 175.76 174.90 1su6 n PRO 239 N -0.08 1.44 -4.07 0.00 -0.02 -1.15 -4.42 135.00 126.70 1su6 n PRO 239 Ca -0.12 0.51 -0.07 0.00 -2.02 0.00 0.00 63.50 61.80 1su6 n PRO 239 Cb 0.61 -2.02 -0.10 0.00 -0.02 0.00 0.00 33.50 31.97 1su6 n PRO 239 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1su6 s VAL 240 N -0.39 0.21 -0.07 -1.45 -7.23 -0.44 -4.94 120.40 106.08 1su6 s VAL 240 Ca 0.68 -1.73 0.04 0.00 -1.81 0.00 0.00 61.98 59.16 1su6 s VAL 240 Cb -0.76 -1.45 -0.00 0.00 0.56 0.00 0.00 36.38 34.73 1su6 s VAL 240 CO 0.54 -0.96 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.47 1su6 s VAL 241 N -3.80 1.76 0.00 1.32 1.01 -1.26 -0.55 120.40 118.88 1su6 s VAL 241 Ca 0.06 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1su6 s VAL 241 Cb 0.07 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1su6 s VAL 241 CO -0.10 0.50 0.00 1.07 0.00 0.00 0.00 175.10 176.57 1su6 n THR 242 N 3.37 0.00 -4.22 3.92 5.66 0.65 -4.91 114.28 118.75 1su6 n THR 242 Ca -0.19 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.68 1su6 n THR 242 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 1su6 n THR 242 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1su6 s GLU 243 N 1.67 1.14 0.07 1.09 2.02 -1.26 -0.64 118.70 122.79 1su6 s GLU 243 Ca 0.00 -1.58 -0.05 0.00 0.02 0.00 0.00 54.97 53.36 1su6 s GLU 243 Cb 0.00 -0.01 -0.02 0.00 0.10 0.00 0.00 34.13 34.20 1su6 s GLU 243 CO 0.00 -0.26 0.08 -1.54 0.02 0.00 0.00 175.26 173.56 1su6 s SER 244 N -3.17 0.30 0.00 -0.19 1.04 -0.56 -1.74 113.70 109.39 1su6 s SER 244 Ca 0.30 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1su6 s SER 244 Cb 0.07 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1su6 s SER 244 CO 0.07 -0.67 0.00 -3.20 0.98 0.00 0.00 173.24 170.42 1su6 n ASN 245 N 0.02 0.00 0.27 7.02 4.05 0.90 -1.53 115.26 125.99 1su6 n ASN 245 Ca -0.14 0.00 0.12 0.00 0.45 0.00 0.00 54.58 55.01 1su6 n ASN 245 Cb 0.62 0.00 0.76 0.00 1.23 0.00 0.00 39.78 42.39 1su6 n ASN 245 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1su6 h LEU 246 N 0.00 0.00 0.00 1.20 3.38 -1.62 -1.98 115.31 116.29 1su6 h LEU 246 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1su6 h LEU 246 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1su6 h LEU 246 CO 0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1su6 n GLY 247 N -1.14 -0.41 0.00 0.83 0.00 -0.67 -1.27 105.19 102.54 1su6 n GLY 247 Ca -0.03 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.12 1su6 n GLY 247 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1su6 n VAL 248 N -1.28 0.00 -2.41 1.61 0.24 -0.74 -4.76 118.33 110.99 1su6 n VAL 248 Ca 0.02 -0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.97 1su6 n VAL 248 Cb 0.03 -0.43 -0.02 0.00 -1.47 0.00 0.00 33.84 31.95 1su6 n VAL 248 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1su6 s LEU 249 N -2.91 3.85 -0.14 1.34 1.43 -0.39 -5.03 118.68 116.83 1su6 s LEU 249 Ca 0.17 2.07 -0.01 0.00 -1.03 0.00 0.00 54.13 55.33 1su6 s LEU 249 Cb 0.19 -4.51 0.04 0.00 0.03 0.00 0.00 46.19 41.94 1su6 s LEU 249 CO 0.53 -0.94 -0.05 -0.54 0.23 0.00 0.00 176.35 175.58 1su6 s LYS 250 N -3.14 1.34 0.46 1.70 1.02 -1.26 -5.03 119.74 114.82 1su6 s LYS 250 Ca 0.68 -0.37 0.20 0.00 0.02 0.00 0.00 55.97 56.50 1su6 s LYS 250 Cb -0.21 -1.78 1.17 0.00 -0.52 0.00 0.00 37.83 36.49 1su6 s LYS 250 CO 0.25 -0.38 1.91 0.00 -0.92 0.00 0.00 175.35 176.21 1su6 h ALA 251 N 8.17 2.29 -0.58 5.17 0.00 -1.96 -1.29 119.26 131.05 1su6 h ALA 251 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1su6 h ALA 251 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1su6 h ALA 251 CO 0.39 -0.52 0.00 -0.40 0.00 0.00 0.00 179.25 178.72 1su6 n ASP 252 N -4.44 4.32 -4.66 0.00 5.68 -1.26 -4.87 116.55 111.31 1su6 n ASP 252 Ca 0.15 -2.40 -0.23 0.00 -0.50 0.00 0.00 54.79 51.81 1su6 n ASP 252 Cb 0.64 -0.55 -0.07 0.00 -1.14 0.00 0.00 41.12 40.00 1su6 n ASP 252 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1su6 s ALA 253 N -1.83 3.25 -0.47 2.12 0.00 -0.49 -1.14 121.76 123.21 1su6 s ALA 253 Ca 0.46 -1.78 -0.28 0.00 0.00 0.00 0.00 51.96 50.36 1su6 s ALA 253 Cb 0.30 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1su6 s ALA 253 CO 0.22 0.16 1.43 0.08 0.00 0.00 0.00 175.76 177.64 1su6 s VAL 254 N -2.40 3.85 -0.31 0.00 1.01 -0.29 -4.88 120.40 117.38 1su6 s VAL 254 Ca 0.34 0.81 -0.16 0.00 0.00 0.00 0.00 61.98 62.97 1su6 s VAL 254 Cb -0.04 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1su6 s VAL 254 CO 0.20 -0.90 0.41 0.20 0.00 0.00 0.00 175.10 175.02 1su6 s ASN 255 N 4.23 6.26 -0.19 3.32 0.01 -1.26 0.57 114.94 127.87 1su6 s ASN 255 Ca 0.59 0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.80 1su6 s ASN 255 Cb -0.13 -2.22 0.03 0.00 0.41 0.00 0.00 41.25 39.34 1su6 s ASN 255 CO 0.30 -0.32 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.72 1su6 s VAL 256 N 2.15 1.99 -0.04 1.60 1.01 -0.45 -1.14 120.40 125.52 1su6 s VAL 256 Ca 0.15 -1.06 -0.21 0.00 0.00 0.00 0.00 61.98 60.87 1su6 s VAL 256 Cb -0.16 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1su6 s VAL 256 CO 0.11 0.38 0.61 0.00 0.00 0.00 0.00 175.10 176.20 1su6 s ALA 257 N 1.28 3.44 -0.10 5.51 0.00 0.37 -0.91 121.76 131.36 1su6 s ALA 257 Ca 0.01 0.03 -0.14 0.00 0.00 0.00 0.00 51.96 51.86 1su6 s ALA 257 Cb -0.15 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 1su6 s ALA 257 CO -0.11 0.07 0.35 0.14 0.00 0.00 0.00 175.76 176.22 1su6 s VAL 258 N 0.20 5.21 -0.00 0.00 -7.23 -0.14 -0.73 120.40 117.71 1su6 s VAL 258 Ca 0.32 0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 61.15 1su6 s VAL 258 Cb -0.18 -3.68 -0.00 0.00 0.56 0.00 0.00 36.38 33.08 1su6 s VAL 258 CO 0.16 0.45 0.08 -2.28 -0.31 0.00 0.00 175.10 173.20 1su6 s HIS 259 N -0.09 0.07 0.00 2.82 5.04 -0.11 -0.62 115.29 122.39 1su6 s HIS 259 Ca 0.21 -0.15 0.00 0.00 -1.54 0.00 0.00 55.06 53.57 1su6 s HIS 259 Cb -0.14 -0.07 0.00 0.00 0.04 0.00 0.00 32.58 32.41 1su6 s HIS 259 CO 0.08 -0.20 0.00 0.41 -2.34 0.00 0.00 174.74 172.69 1su6 n GLY 260 N 1.88 0.36 0.00 1.59 0.00 -1.26 -2.89 105.19 104.88 1su6 n GLY 260 Ca -0.21 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1su6 n GLY 260 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1su6 n HIS 261 N 0.00 0.00 -3.23 1.61 8.25 -1.19 -0.70 115.22 119.96 1su6 n HIS 261 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 1su6 n HIS 261 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1su6 n HIS 261 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1su6 s ASN 262 N -2.78 6.55 0.25 0.41 3.04 -1.26 -3.97 114.94 117.17 1su6 s ASN 262 Ca 0.00 0.66 0.23 0.00 0.04 0.00 0.00 52.86 53.78 1su6 s ASN 262 Cb 0.00 -2.29 0.97 0.00 -1.54 0.00 0.00 41.25 38.38 1su6 s ASN 262 CO 0.00 -0.21 1.68 -0.81 -3.04 0.00 0.00 177.10 174.72 1su6 n PRO 263 N 4.97 0.18 -0.33 0.43 -0.04 -1.26 -2.70 135.00 136.25 1su6 n PRO 263 Ca -0.04 0.43 0.18 0.00 -0.04 0.00 0.00 63.50 64.03 1su6 n PRO 263 Cb 0.50 -1.85 0.42 0.00 -0.04 0.00 0.00 33.50 32.53 1su6 n PRO 263 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1su6 h VAL 264 N 0.00 0.62 0.00 0.52 2.07 -1.99 0.16 116.25 117.63 1su6 h VAL 264 Ca 0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1su6 h VAL 264 Cb 0.32 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1su6 h VAL 264 CO 0.00 0.10 -0.10 0.25 0.02 0.00 0.00 177.57 177.84 1su6 h LEU 265 N 0.57 0.00 -1.29 2.57 5.85 -1.94 -3.38 115.31 117.69 1su6 h LEU 265 Ca 0.58 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.27 1su6 h LEU 265 Cb 1.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1su6 h LEU 265 CO -0.34 0.36 0.13 0.77 -0.34 0.00 0.00 178.44 179.02 1su6 h SER 266 N -0.61 0.57 -0.96 1.25 4.64 -1.52 -1.37 113.55 115.54 1su6 h SER 266 Ca 0.00 -0.07 0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1su6 h SER 266 Cb 0.10 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 61.99 1su6 h SER 266 CO 0.00 0.55 0.63 -0.78 -0.87 0.00 0.00 176.83 176.36 1su6 h ASP 267 N 0.61 1.05 -0.39 4.97 3.58 -0.92 -0.81 116.42 124.50 1su6 h ASP 267 Ca 0.14 -0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.43 1su6 h ASP 267 Cb 0.19 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1su6 h ASP 267 CO -0.01 0.72 -0.35 0.40 -2.88 0.00 0.00 179.24 177.12 1su6 h ILE 268 N 1.22 1.27 -0.87 2.25 1.08 -1.51 -2.22 117.51 118.73 1su6 h ILE 268 Ca 0.38 -1.52 0.09 0.00 -0.39 0.00 0.00 64.86 63.41 1su6 h ILE 268 Cb -0.00 1.36 -0.07 0.00 -3.07 0.00 0.00 36.82 35.04 1su6 h ILE 268 CO -0.12 0.51 0.52 0.40 -0.69 0.00 0.00 178.15 178.77 1su6 h ILE 269 N 0.75 0.97 0.05 -0.67 1.08 -0.72 -0.04 117.51 118.93 1su6 h ILE 269 Ca 0.07 -0.31 -0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1su6 h ILE 269 Cb 0.94 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 1su6 h ILE 269 CO 0.09 0.16 -0.02 0.58 -0.69 0.00 0.00 178.15 178.27 1su6 h VAL 270 N 0.90 1.02 -0.20 1.67 2.07 -0.81 0.10 116.25 121.00 1su6 h VAL 270 Ca 0.41 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 1su6 h VAL 270 Cb 0.30 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1su6 h VAL 270 CO -0.22 0.06 -0.07 0.77 0.02 0.00 0.00 177.57 178.13 1su6 h SER 271 N -0.18 0.42 -0.19 0.57 4.64 -1.08 -2.99 113.55 114.74 1su6 h SER 271 Ca -0.01 -0.39 -0.06 0.00 -0.47 0.00 0.00 61.79 60.86 1su6 h SER 271 Cb 0.15 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1su6 h SER 271 CO 0.01 0.71 -0.06 0.58 -0.87 0.00 0.00 176.83 177.21 1su6 h VAL 272 N 0.12 1.21 -0.08 0.95 2.07 -0.99 -2.67 116.25 116.86 1su6 h VAL 272 Ca 0.05 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.70 1su6 h VAL 272 Cb 0.54 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1su6 h VAL 272 CO 0.02 0.30 0.06 0.77 0.02 0.00 0.00 177.57 178.75 1su6 h SER 273 N 0.49 0.00 -0.28 0.57 4.64 -0.81 0.23 113.55 118.39 1su6 h SER 273 Ca 0.10 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.26 1su6 h SER 273 Cb 0.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1su6 h SER 273 CO 0.02 0.00 -0.40 0.11 -0.87 0.00 0.00 176.83 175.69 1su6 h LYS 274 N 0.00 0.83 -0.41 4.77 1.57 -1.47 -2.78 116.57 119.08 1su6 h LYS 274 Ca 0.04 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1su6 h LYS 274 Cb 0.16 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1su6 h LYS 274 CO -0.00 1.08 0.26 0.93 -0.57 0.00 0.00 179.45 181.15 1su6 h GLU 275 N 0.68 0.55 -0.67 3.15 5.08 -0.47 -3.12 114.58 119.77 1su6 h GLU 275 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1su6 h GLU 275 Cb 0.98 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1su6 h GLU 275 CO 0.09 0.38 0.00 -1.33 -1.00 0.00 0.00 179.01 177.15 1su6 n MET 276 N -4.46 3.14 -0.26 2.33 2.81 -0.55 -4.55 117.12 115.58 1su6 n MET 276 Ca 0.03 -1.94 0.03 0.00 -1.81 0.00 0.00 57.70 54.01 1su6 n MET 276 Cb 0.07 -1.83 0.26 0.00 -0.71 0.00 0.00 33.22 31.01 1su6 n MET 276 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1su6 h GLU 277 N 2.62 0.96 -0.17 0.03 5.08 -1.51 -2.27 114.58 119.32 1su6 h GLU 277 Ca 0.00 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 1su6 h GLU 277 Cb 1.24 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 30.28 1su6 h GLU 277 CO 0.23 0.64 -0.62 -0.91 -1.00 0.00 0.00 179.01 177.35 1su6 h ASN 278 N 0.99 0.84 -0.57 1.42 2.35 -1.88 0.38 115.58 119.10 1su6 h ASN 278 Ca 0.34 -0.61 0.09 0.00 -0.55 0.00 0.00 56.30 55.58 1su6 h ASN 278 Cb 0.11 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.16 1su6 h ASN 278 CO -0.11 1.30 0.18 -0.08 -1.65 0.00 0.00 177.43 177.08 1su6 h GLU 279 N 0.43 0.34 -0.76 0.81 4.81 -1.85 0.16 114.58 118.51 1su6 h GLU 279 Ca -0.03 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1su6 h GLU 279 Cb 1.25 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 1su6 h GLU 279 CO 0.13 0.22 0.25 0.00 -0.73 0.00 0.00 179.01 178.88 1su6 h ALA 280 N 1.41 1.00 -0.64 2.92 0.00 -1.15 -2.66 119.26 120.14 1su6 h ALA 280 Ca 0.29 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1su6 h ALA 280 Cb 0.37 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1su6 h ALA 280 CO -0.32 0.67 0.16 -0.09 0.00 0.00 0.00 179.25 179.68 1su6 h ARG 281 N 1.13 1.00 -0.55 0.00 2.43 0.27 -1.88 114.38 116.77 1su6 h ARG 281 Ca 0.25 -0.22 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1su6 h ARG 281 Cb 0.30 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1su6 h ARG 281 CO -0.01 0.88 0.36 0.00 -1.51 0.00 0.00 179.97 179.69 1su6 h ALA 282 N 1.22 1.81 -0.03 2.80 0.00 -0.40 -1.90 119.26 122.76 1su6 h ALA 282 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1su6 h ALA 282 Cb 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1su6 h ALA 282 CO -0.00 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1su6 n ALA 283 N -2.48 2.61 -0.05 0.00 0.00 -0.93 -4.88 120.51 114.78 1su6 n ALA 283 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1su6 n ALA 283 Cb 0.20 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1su6 n ALA 283 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1su6 n GLY 284 N 0.98 0.72 3.93 0.00 0.00 -0.71 -4.77 105.19 105.33 1su6 n GLY 284 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1su6 n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su6 s ALA 285 N -2.06 3.78 0.38 4.61 0.00 -0.75 -4.97 121.76 122.75 1su6 s ALA 285 Ca 0.00 -0.87 0.15 0.00 0.00 0.00 0.00 51.96 51.24 1su6 s ALA 285 Cb 0.00 -2.03 0.84 0.00 0.00 0.00 0.00 23.12 21.93 1su6 s ALA 285 CO 0.00 0.26 1.87 1.79 0.00 0.00 0.00 175.76 179.68 1su6 h THR 286 N 1.25 1.15 0.00 0.00 1.35 -1.40 -3.26 112.91 111.99 1su6 h THR 286 Ca -0.49 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.27 1su6 h THR 286 Cb 1.20 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1su6 h THR 286 CO 0.65 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.84 1su6 n GLY 287 N -0.54 -1.00 3.60 5.82 0.00 -1.26 -4.73 105.19 107.08 1su6 n GLY 287 Ca -0.02 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 1su6 n GLY 287 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1su6 s ILE 288 N -3.00 5.24 -0.80 -0.61 1.01 -1.26 -1.13 121.20 120.64 1su6 s ILE 288 Ca 0.00 0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.90 1su6 s ILE 288 Cb 0.00 -3.62 0.21 0.00 0.01 0.00 0.00 42.46 39.07 1su6 s ILE 288 CO 0.00 0.20 0.73 0.21 0.00 0.00 0.00 174.94 176.08 1su6 s ASN 289 N 1.69 6.56 -0.01 3.58 2.47 0.19 -4.94 114.94 124.48 1su6 s ASN 289 Ca 0.11 -2.72 -0.30 0.00 0.42 0.00 0.00 52.86 50.37 1su6 s ASN 289 Cb -0.16 -2.16 -0.04 0.00 -1.45 0.00 0.00 41.25 37.44 1su6 s ASN 289 CO 0.10 -0.54 1.19 -0.69 -3.72 0.00 0.00 177.10 173.44 1su6 s VAL 290 N 0.12 4.21 0.12 -5.21 1.01 -1.26 -1.35 120.40 118.04 1su6 s VAL 290 Ca 0.18 1.56 0.05 0.00 0.00 0.00 0.00 61.98 63.77 1su6 s VAL 290 Cb -0.11 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1su6 s VAL 290 CO -0.08 0.05 -0.11 0.68 0.00 0.00 0.00 175.10 175.64 1su6 s VAL 291 N 1.73 1.12 0.07 2.92 -7.23 -0.09 -4.46 120.40 114.47 1su6 s VAL 291 Ca 0.57 -1.77 0.04 0.00 -1.81 0.00 0.00 61.98 59.01 1su6 s VAL 291 Cb -0.26 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 1su6 s VAL 291 CO 0.25 -0.57 -0.01 -0.83 -0.31 0.00 0.00 175.10 173.63 1su6 s GLY 292 N -2.64 1.90 0.04 2.32 0.00 -0.20 -0.97 107.32 107.77 1su6 s GLY 292 Ca 0.09 -1.10 0.06 0.00 0.00 0.00 0.00 44.72 43.78 1su6 s GLY 292 CO 0.01 -1.05 -0.18 -0.42 0.00 0.00 0.00 173.10 171.46 1su6 s ILE 293 N -1.25 1.41 0.00 0.90 1.01 0.21 -0.49 121.20 122.99 1su6 s ILE 293 Ca 0.24 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1su6 s ILE 293 Cb -0.12 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.11 1su6 s ILE 293 CO 0.16 0.11 0.00 0.00 0.00 0.00 0.00 174.94 175.21 1su6 h THR 296 N 0.09 1.17 -0.65 0.00 1.03 -1.04 0.11 112.91 113.62 1su6 h THR 296 Ca -0.03 -1.12 -0.08 0.00 -0.01 0.00 0.00 66.41 65.16 1su6 h THR 296 Cb 1.41 1.62 -0.02 0.00 -1.07 0.00 0.00 68.15 70.08 1su6 h THR 296 CO 0.12 0.31 0.08 1.23 -0.01 0.00 0.00 175.52 177.25 1su6 h GLY 297 N 1.05 1.17 1.01 2.99 0.00 -1.12 -2.24 103.07 105.93 1su6 h GLY 297 Ca -0.00 -0.81 0.01 0.00 0.00 0.00 0.00 47.33 46.53 1su6 h GLY 297 CO 0.04 0.75 0.62 3.43 0.00 0.00 0.00 176.54 181.37 1su6 h ASN 298 N 1.00 1.07 -0.63 0.19 2.35 -0.50 -0.13 115.58 118.93 1su6 h ASN 298 Ca 0.19 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1su6 h ASN 298 Cb 0.48 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1su6 h ASN 298 CO 0.02 0.78 0.42 -0.33 -1.65 0.00 0.00 177.43 176.66 1su6 h GLU 299 N 1.26 0.83 0.00 0.81 4.39 -0.46 0.85 114.58 122.27 1su6 h GLU 299 Ca 0.34 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1su6 h GLU 299 Cb -0.15 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.32 1su6 h GLU 299 CO -0.07 0.55 -0.25 -0.39 -1.16 0.00 0.00 179.01 177.69 1su6 h VAL 300 N 0.86 0.00 -0.25 3.13 -1.51 -1.29 -2.35 116.25 114.84 1su6 h VAL 300 Ca 0.23 -0.95 -0.05 0.00 -1.23 0.00 0.00 66.70 64.71 1su6 h VAL 300 Cb -0.10 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 30.87 1su6 h VAL 300 CO -0.05 0.00 -0.03 0.25 -1.23 0.00 0.00 177.57 176.51 1su6 h LEU 301 N 0.00 0.46 -0.77 4.19 6.46 -0.43 -0.80 115.31 124.42 1su6 h LEU 301 Ca 0.00 -0.34 -0.03 0.00 -0.12 0.00 0.00 57.88 57.39 1su6 h LEU 301 Cb 0.97 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.75 1su6 h LEU 301 CO 0.00 0.69 0.37 0.24 -0.62 0.00 0.00 178.44 179.12 1su6 h MET 302 N 0.22 1.12 0.00 1.25 2.86 -0.75 -0.27 114.93 119.36 1su6 h MET 302 Ca 0.07 -0.17 -0.24 0.00 -2.06 0.00 0.00 59.70 57.30 1su6 h MET 302 Cb 0.47 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1su6 h MET 302 CO 0.02 0.87 -1.85 0.54 1.06 0.00 0.00 176.91 177.54 1su6 n ARG 303 N -4.37 0.65 0.00 1.72 1.74 -0.89 -4.37 116.66 111.13 1su6 n ARG 303 Ca 0.07 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1su6 n ARG 303 Cb 0.14 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 1su6 n ARG 303 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1su6 n HIS 304 N -2.81 0.00 -1.18 -1.55 8.25 -0.34 -4.96 115.22 112.63 1su6 n HIS 304 Ca -0.18 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.23 1su6 n HIS 304 Cb 0.96 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.05 1su6 n HIS 304 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1su6 n GLY 305 N 0.34 0.77 3.72 -1.41 0.00 -0.11 -4.97 105.19 103.52 1su6 n GLY 305 Ca 0.00 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1su6 n GLY 305 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1su6 s ILE 306 N -2.20 2.50 0.38 -0.61 -1.09 -1.04 -4.69 121.20 114.45 1su6 s ILE 306 Ca 0.00 0.35 -0.26 0.00 -2.23 0.00 0.00 60.65 58.51 1su6 s ILE 306 Cb 0.00 -3.22 -0.09 0.00 -1.58 0.00 0.00 42.46 37.57 1su6 s ILE 306 CO 0.00 0.03 1.25 -2.16 -1.23 0.00 0.00 174.94 172.83 1su6 s PRO 307 N 1.20 4.11 -0.21 2.79 0.04 -1.26 -4.03 135.00 137.63 1su6 s PRO 307 Ca 0.71 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 63.58 1su6 s PRO 307 Cb -0.45 -2.82 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 1su6 s PRO 307 CO 0.31 -0.34 0.69 0.00 0.04 0.00 0.00 177.00 177.71 1su6 s ALA 308 N -1.28 3.57 -0.10 8.56 0.00 -0.71 -1.03 121.76 130.77 1su6 s ALA 308 Ca 0.55 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 1su6 s ALA 308 Cb -0.36 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 1su6 s ALA 308 CO 0.46 -0.68 0.34 0.00 0.00 0.00 0.00 175.76 175.87 1su6 n THR 310 N -4.78 0.00 -3.87 0.00 5.66 -1.22 -3.00 114.28 107.08 1su6 n THR 310 Ca -0.04 -0.60 -0.10 0.00 -3.05 0.00 0.00 64.05 60.26 1su6 n THR 310 Cb 0.17 0.70 -0.09 0.00 -1.55 0.00 0.00 70.33 69.56 1su6 n THR 310 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1su6 s HIS 311 N -3.03 0.08 0.00 1.09 0.09 -1.26 -3.32 115.29 108.94 1su6 s HIS 311 Ca 0.17 -0.30 0.00 0.00 -0.00 0.00 0.00 55.06 54.93 1su6 s HIS 311 Cb -0.03 -0.06 0.00 0.00 -0.00 0.00 0.00 32.58 32.49 1su6 s HIS 311 CO 0.07 -0.40 0.00 0.45 -0.00 0.00 0.00 174.74 174.86 1su6 n SER 312 N 0.80 0.00 0.23 1.40 2.88 -1.26 -2.17 113.62 115.51 1su6 n SER 312 Ca -0.19 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.42 1su6 n SER 312 Cb 0.58 0.00 0.60 0.00 -0.75 0.00 0.00 64.21 64.64 1su6 n SER 312 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1su6 h VAL 313 N 0.00 1.03 -0.50 2.46 3.04 -1.96 -2.03 116.25 118.28 1su6 h VAL 313 Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1su6 h VAL 313 Cb 0.00 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 1su6 h VAL 313 CO 0.00 0.03 0.00 -1.54 -1.01 0.00 0.00 177.57 175.05 1su6 n SER 314 N -4.51 3.05 -0.12 3.17 3.41 -0.92 -4.56 113.62 113.14 1su6 n SER 314 Ca -0.02 -2.11 0.20 0.00 -0.26 0.00 0.00 58.87 56.67 1su6 n SER 314 Cb 0.11 -0.40 0.61 0.00 -0.26 0.00 0.00 64.21 64.27 1su6 n SER 314 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1su6 h GLN 315 N 2.99 0.18 0.00 4.33 3.07 -1.43 -0.28 115.11 123.98 1su6 h GLN 315 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 1su6 h GLN 315 Cb 0.84 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 28.36 1su6 h GLN 315 CO 0.06 0.12 -0.13 0.93 0.09 0.00 0.00 178.83 179.90 1su6 h GLU 316 N 0.19 0.00 0.00 0.06 5.08 -1.85 -2.97 114.58 115.09 1su6 h GLU 316 Ca 0.35 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.67 1su6 h GLU 316 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1su6 h GLU 316 CO -0.06 0.13 -0.19 0.52 -1.00 0.00 0.00 179.01 178.40 1su6 h MET 317 N 0.00 0.00 -0.77 2.33 2.86 -1.40 -1.88 114.93 116.07 1su6 h MET 317 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1su6 h MET 317 Cb 0.35 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 1su6 h MET 317 CO 0.02 0.19 0.39 0.00 1.06 0.00 0.00 176.91 178.57 1su6 h ALA 318 N 1.81 1.24 -0.48 6.32 0.00 -1.67 -2.38 119.26 124.10 1su6 h ALA 318 Ca -0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1su6 h ALA 318 Cb 0.52 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1su6 h ALA 318 CO 0.03 0.59 -0.17 0.52 0.00 0.00 0.00 179.25 180.22 1su6 h MET 319 N 1.08 0.94 0.00 0.00 2.07 -1.53 -3.13 114.93 114.35 1su6 h MET 319 Ca 0.27 -0.37 -0.00 0.00 -2.07 0.00 0.00 59.70 57.53 1su6 h MET 319 Cb 0.07 -0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 29.75 1su6 h MET 319 CO -0.04 1.03 -0.02 0.82 1.07 0.00 0.00 176.91 179.77 1su6 h ILE 320 N 0.82 0.30 -0.13 -1.22 1.08 -1.16 -1.91 117.51 115.29 1su6 h ILE 320 Ca 0.12 -0.12 0.04 0.00 -0.39 0.00 0.00 64.86 64.51 1su6 h ILE 320 Cb 0.72 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.56 1su6 h ILE 320 CO 0.06 0.02 0.12 0.71 -0.69 0.00 0.00 178.15 178.36 1su6 h THR 321 N 0.00 0.68 0.00 -0.27 1.35 -1.48 -3.45 112.91 109.73 1su6 h THR 321 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1su6 h THR 321 Cb 0.09 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1su6 h THR 321 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1su6 n GLY 322 N -1.46 1.28 0.77 5.82 0.00 -0.72 -0.38 105.19 110.51 1su6 n GLY 322 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1su6 n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su6 n ALA 323 N -0.41 2.39 -2.72 4.61 0.00 -1.26 -4.90 120.51 118.22 1su6 n ALA 323 Ca 0.00 -0.85 -0.44 0.00 0.00 0.00 0.00 53.44 52.15 1su6 n ALA 323 Cb 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 1su6 n ALA 323 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1su6 s LEU 324 N -1.24 4.81 0.12 0.00 2.96 -1.26 -4.33 118.68 119.74 1su6 s LEU 324 Ca 0.25 -0.79 -0.07 0.00 -0.22 0.00 0.00 54.13 53.30 1su6 s LEU 324 Cb 0.15 -2.52 -0.11 0.00 0.50 0.00 0.00 46.19 44.21 1su6 s LEU 324 CO 0.22 -0.92 1.29 0.44 -1.32 0.00 0.00 176.35 176.06 1su6 h ASP 325 N 9.02 0.65 -4.85 3.68 3.32 -1.48 -3.36 116.42 123.40 1su6 h ASP 325 Ca -0.27 -0.50 -0.15 0.00 0.02 0.00 0.00 57.03 56.13 1su6 h ASP 325 Cb 1.09 -0.20 -0.21 0.00 0.22 0.00 0.00 39.33 40.23 1su6 h ASP 325 CO 0.97 1.30 -0.47 0.00 -1.72 0.00 0.00 179.24 179.31 1su6 s ALA 326 N -3.36 -0.38 -0.25 3.45 0.00 -0.99 -0.87 121.76 119.36 1su6 s ALA 326 Ca -0.07 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1su6 s ALA 326 Cb 0.09 0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.34 1su6 s ALA 326 CO 0.88 -0.20 -0.03 1.41 0.00 0.00 0.00 175.76 177.82 1su6 s MET 327 N -1.23 1.54 -0.28 0.00 1.75 0.23 -0.47 119.30 120.84 1su6 s MET 327 Ca -0.13 -1.09 -0.11 0.00 -1.25 0.00 0.00 55.69 53.11 1su6 s MET 327 Cb -0.07 -2.61 -0.05 0.00 2.84 0.00 0.00 34.83 34.95 1su6 s MET 327 CO 0.02 -0.66 0.19 0.42 -0.65 0.00 0.00 175.02 174.33 1su6 s ILE 328 N 1.36 5.29 0.08 10.11 1.01 0.10 -1.35 121.20 137.79 1su6 s ILE 328 Ca -0.03 0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.86 1su6 s ILE 328 Cb -0.19 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1su6 s ILE 328 CO -0.08 0.26 -0.19 -0.76 0.00 0.00 0.00 174.94 174.16 1su6 s LEU 329 N 1.73 2.59 0.00 2.97 1.43 -0.22 -0.94 118.68 126.23 1su6 s LEU 329 Ca 0.07 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1su6 s LEU 329 Cb -0.16 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.58 1su6 s LEU 329 CO 0.11 0.22 0.00 -0.90 0.23 0.00 0.00 176.35 176.01 1su6 n ASP 330 N 1.23 0.00 -3.65 2.29 5.68 -1.14 -2.58 116.55 118.37 1su6 n ASP 330 Ca -0.16 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.02 1su6 n ASP 330 Cb 0.52 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.45 1su6 n ASP 330 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 1su6 s TYR 331 N 0.00 -0.21 0.00 2.11 -0.85 -1.26 -4.55 117.35 112.59 1su6 s TYR 331 Ca 0.00 -0.04 0.00 0.00 -0.52 0.00 0.00 57.07 56.51 1su6 s TYR 331 Cb 0.00 0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.57 1su6 s TYR 331 CO 0.00 -0.66 0.00 1.04 -1.52 0.00 0.00 175.55 174.41 1su6 n GLN 332 N -0.03 0.00 -1.08 -3.49 6.02 -1.26 -3.17 117.38 114.37 1su6 n GLN 332 Ca -0.17 0.02 -0.03 0.00 -0.01 0.00 0.00 57.00 56.82 1su6 n GLN 332 Cb 0.63 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.87 1su6 n GLN 332 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1su6 s ILE 334 N -1.81 4.80 -0.08 0.00 1.01 -1.26 -4.92 121.20 118.93 1su6 s ILE 334 Ca 0.00 0.86 -0.32 0.00 0.00 0.00 0.00 60.65 61.19 1su6 s ILE 334 Cb 0.00 -4.14 -0.10 0.00 0.01 0.00 0.00 42.46 38.23 1su6 s ILE 334 CO 0.00 -0.34 1.99 0.00 0.00 0.00 0.00 174.94 176.58 1su6 n GLN 335 N 6.23 2.31 0.14 2.79 6.02 -1.26 -4.84 117.38 128.77 1su6 n GLN 335 Ca 0.02 0.81 0.10 0.00 -0.01 0.00 0.00 57.00 57.92 1su6 n GLN 335 Cb 0.48 -2.84 0.51 0.00 1.02 0.00 0.00 30.24 29.41 1su6 n GLN 335 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1su6 n PRO 336 N 7.37 0.13 0.20 -1.09 -0.04 -1.26 -1.62 135.00 138.69 1su6 n PRO 336 Ca 0.24 0.58 0.18 0.00 -0.04 0.00 0.00 63.50 64.46 1su6 n PRO 336 Cb 0.35 -1.89 0.83 0.00 -0.04 0.00 0.00 33.50 32.75 1su6 n PRO 336 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1su6 h SER 337 N 0.00 0.00 -0.19 3.54 4.64 -2.01 -2.49 113.55 117.04 1su6 h SER 337 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1su6 h SER 337 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1su6 h SER 337 CO 0.00 0.00 0.09 -0.37 -0.87 0.00 0.00 176.83 175.68 1su6 h VAL 338 N 0.00 1.10 -0.15 0.95 -1.51 -1.69 -0.04 116.25 114.92 1su6 h VAL 338 Ca 0.10 -0.33 -0.07 0.00 -1.23 0.00 0.00 66.70 65.17 1su6 h VAL 338 Cb 0.65 0.83 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 1su6 h VAL 338 CO -0.00 0.12 -0.21 0.00 -1.23 0.00 0.00 177.57 176.26 1su6 h ALA 339 N 1.76 1.38 0.15 5.19 0.00 -1.69 -0.68 119.26 125.38 1su6 h ALA 339 Ca 0.09 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 1su6 h ALA 339 Cb 0.09 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.81 1su6 h ALA 339 CO -0.01 0.43 -0.85 1.15 0.00 0.00 0.00 179.25 179.97 1su6 h THR 340 N 0.23 1.50 -0.53 0.00 2.02 -1.41 -3.30 112.91 111.42 1su6 h THR 340 Ca 0.04 -2.55 0.02 0.00 0.77 0.00 0.00 66.41 64.69 1su6 h THR 340 Cb 0.50 3.20 -0.03 0.00 -1.74 0.00 0.00 68.15 70.08 1su6 h THR 340 CO 0.03 0.72 0.35 0.40 0.37 0.00 0.00 175.52 177.40 1su6 h ILE 341 N -0.35 1.10 -0.96 3.11 2.04 -0.89 -2.66 117.51 118.90 1su6 h ILE 341 Ca -0.15 -0.23 0.18 0.00 1.00 0.00 0.00 64.86 65.66 1su6 h ILE 341 Cb 1.67 0.38 -0.09 0.00 -0.74 0.00 0.00 36.82 38.04 1su6 h ILE 341 CO 0.16 0.12 0.61 0.00 0.00 0.00 0.00 178.15 179.04 1su6 h ALA 342 N 1.68 1.84 -0.18 1.87 0.00 -1.20 -1.13 119.26 122.14 1su6 h ALA 342 Ca 0.20 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1su6 h ALA 342 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1su6 h ALA 342 CO -0.05 -0.15 -0.01 1.49 0.00 0.00 0.00 179.25 180.53 1su6 h GLU 343 N 0.68 0.26 0.09 0.00 4.81 -1.62 0.13 114.58 118.93 1su6 h GLU 343 Ca 0.51 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 59.44 1su6 h GLU 343 Cb 0.89 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1su6 h GLU 343 CO -0.27 0.30 -1.24 0.00 -0.73 0.00 0.00 179.01 177.06 1su6 n THR 345 N -3.45 0.00 -0.25 0.00 -2.24 -0.54 -4.96 114.28 102.84 1su6 n THR 345 Ca -0.08 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1su6 n THR 345 Cb 1.01 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 70.35 1su6 n THR 345 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1su6 n GLY 346 N 1.35 2.01 3.76 3.38 0.00 0.40 -4.76 105.19 111.33 1su6 n GLY 346 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1su6 n GLY 346 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1su6 s THR 347 N -3.08 2.55 -0.43 2.61 2.01 -1.20 -4.93 115.64 113.17 1su6 s THR 347 Ca 0.00 0.52 -0.21 0.00 0.31 0.00 0.00 61.69 62.31 1su6 s THR 347 Cb 0.00 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.20 1su6 s THR 347 CO 0.00 0.11 0.67 -0.89 -0.69 0.00 0.00 174.62 173.81 1su6 s THR 348 N -0.69 4.80 -0.24 -0.82 2.01 -0.05 -4.72 115.64 115.93 1su6 s THR 348 Ca 0.54 0.20 -0.20 0.00 0.31 0.00 0.00 61.69 62.54 1su6 s THR 348 Cb -0.42 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 67.85 1su6 s THR 348 CO 0.51 -0.60 0.63 -0.69 -0.69 0.00 0.00 174.62 173.79 1su6 s VAL 349 N 2.89 4.99 -0.18 3.82 1.01 -1.26 -0.60 120.40 131.06 1su6 s VAL 349 Ca 0.24 1.14 0.01 0.00 0.00 0.00 0.00 61.98 63.37 1su6 s VAL 349 Cb -0.14 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1su6 s VAL 349 CO 0.19 0.04 -0.17 -0.63 0.00 0.00 0.00 175.10 174.53 1su6 s ILE 350 N 2.40 1.95 0.36 2.22 1.01 -0.46 -1.68 121.20 127.00 1su6 s ILE 350 Ca 0.27 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 1su6 s ILE 350 Cb -0.16 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1su6 s ILE 350 CO 0.09 0.45 0.64 0.42 0.00 0.00 0.00 174.94 176.53 1su6 s THR 351 N 1.32 4.97 0.00 2.92 -4.23 0.30 -1.06 115.64 119.86 1su6 s THR 351 Ca 0.03 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1su6 s THR 351 Cb -0.14 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.92 1su6 s THR 351 CO -0.12 -0.50 0.00 0.35 -0.54 0.00 0.00 174.62 173.81 1su6 n THR 352 N -1.42 0.00 -4.41 3.99 -2.24 -1.07 -0.83 114.28 108.31 1su6 n THR 352 Ca -0.01 -0.06 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 1su6 n THR 352 Cb 0.55 0.53 -0.12 0.00 -2.10 0.00 0.00 70.33 69.19 1su6 n THR 352 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1su6 s MET 353 N -0.40 3.59 0.34 -0.78 -1.94 -1.26 -2.32 119.30 116.54 1su6 s MET 353 Ca 0.00 -0.51 0.08 0.00 -1.71 0.00 0.00 55.69 53.55 1su6 s MET 353 Cb 0.00 -2.90 0.79 0.00 2.01 0.00 0.00 34.83 34.74 1su6 s MET 353 CO 0.00 0.29 1.85 1.49 -0.01 0.00 0.00 175.02 178.64 1su6 h GLU 354 N 6.53 0.70 -0.54 2.03 4.81 -1.96 -0.34 114.58 125.81 1su6 h GLU 354 Ca -0.33 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1su6 h GLU 354 Cb 1.19 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1su6 h GLU 354 CO 0.62 0.46 0.00 0.00 -0.73 0.00 0.00 179.01 179.36 1su6 n MET 355 N -4.59 2.06 -3.21 1.92 0.00 -1.26 -4.53 117.12 107.50 1su6 n MET 355 Ca 0.19 -1.12 -0.19 0.00 0.00 0.00 0.00 57.70 56.58 1su6 n MET 355 Cb 0.49 -1.49 -0.07 0.00 0.00 0.00 0.00 33.22 32.15 1su6 n MET 355 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1su6 s SER 356 N -0.67 0.58 0.29 3.17 0.15 -0.14 -5.12 113.70 111.96 1su6 s SER 356 Ca 0.20 -2.45 0.08 0.00 0.70 0.00 0.00 55.95 54.49 1su6 s SER 356 Cb 0.13 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.79 1su6 s SER 356 CO 0.10 -0.15 0.14 -0.54 1.20 0.00 0.00 173.24 173.99 1su6 s LYS 357 N 0.52 2.60 -0.08 5.44 1.02 -1.26 -4.49 119.74 123.50 1su6 s LYS 357 Ca 0.29 -1.30 -0.01 0.00 0.02 0.00 0.00 55.97 54.98 1su6 s LYS 357 Cb -0.01 -2.36 0.03 0.00 -0.52 0.00 0.00 37.83 34.97 1su6 s LYS 357 CO -0.12 0.28 -0.02 0.42 -0.92 0.00 0.00 175.35 174.99 1su6 s ILE 358 N -2.28 0.51 -0.01 2.17 1.01 -1.26 -5.10 121.20 116.25 1su6 s ILE 358 Ca 0.35 0.02 -0.35 0.00 0.00 0.00 0.00 60.65 60.66 1su6 s ILE 358 Cb -0.06 -0.63 -0.14 0.00 0.01 0.00 0.00 42.46 41.64 1su6 s ILE 358 CO 0.23 0.28 1.69 0.41 0.00 0.00 0.00 174.94 177.54 1su6 n THR 359 N 4.97 0.27 0.00 2.92 -1.04 -1.26 -1.20 114.28 118.94 1su6 n THR 359 Ca -0.10 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1su6 n THR 359 Cb 0.50 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1su6 n THR 359 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1su6 n GLY 360 N 3.78 2.04 3.86 3.41 0.00 -1.26 -4.83 105.19 112.20 1su6 n GLY 360 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1su6 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su6 s ALA 361 N -2.55 3.24 0.18 4.61 0.00 -0.34 -4.99 121.76 121.91 1su6 s ALA 361 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.61 1su6 s ALA 361 Cb 0.00 -2.86 -0.07 0.00 0.00 0.00 0.00 23.12 20.19 1su6 s ALA 361 CO 0.00 -0.08 1.04 0.99 0.00 0.00 0.00 175.76 177.71 1su6 s THR 362 N -2.45 4.04 -0.19 0.00 2.01 -0.68 -4.88 115.64 113.49 1su6 s THR 362 Ca 0.54 1.80 -0.04 0.00 0.31 0.00 0.00 61.69 64.30 1su6 s THR 362 Cb -0.10 -4.15 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 1su6 s THR 362 CO 0.31 0.33 -0.02 -2.28 -0.69 0.00 0.00 174.62 172.27 1su6 s HIS 363 N -0.38 3.01 -0.24 4.92 2.46 -1.26 -0.54 115.29 123.25 1su6 s HIS 363 Ca 0.47 -0.50 0.02 0.00 0.47 0.00 0.00 55.06 55.52 1su6 s HIS 363 Cb -0.27 -2.05 0.06 0.00 -0.13 0.00 0.00 32.58 30.19 1su6 s HIS 363 CO 0.33 -0.24 -0.10 0.08 -2.47 0.00 0.00 174.74 172.35 1su6 s VAL 364 N 0.90 1.94 0.23 0.89 1.01 -0.01 -4.95 120.40 120.41 1su6 s VAL 364 Ca 0.00 -1.43 -0.32 0.00 0.00 0.00 0.00 61.98 60.23 1su6 s VAL 364 Cb -0.14 -2.07 -0.13 0.00 0.00 0.00 0.00 36.38 34.03 1su6 s VAL 364 CO 0.02 -0.00 1.55 -3.20 0.00 0.00 0.00 175.10 173.47 1su6 n ASN 365 N 4.53 3.34 -4.36 3.32 4.05 -1.26 -4.14 115.26 120.74 1su6 n ASN 365 Ca -0.14 1.11 -0.37 0.00 0.45 0.00 0.00 54.58 55.63 1su6 n ASN 365 Cb 0.43 -1.49 -0.12 0.00 1.23 0.00 0.00 39.78 39.82 1su6 n ASN 365 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1su6 s PHE 366 N 0.42 3.15 -0.13 1.20 5.36 -0.98 -4.91 117.98 122.10 1su6 s PHE 366 Ca 0.71 -0.90 -0.01 0.00 -0.96 0.00 0.00 56.93 55.77 1su6 s PHE 366 Cb -0.59 -2.26 -0.02 0.00 -0.34 0.00 0.00 43.02 39.80 1su6 s PHE 366 CO 0.43 -0.55 -0.09 0.00 -1.46 0.00 0.00 175.22 173.55 1su6 s ALA 367 N 1.52 2.81 0.47 11.12 0.00 -1.26 -4.95 121.76 131.46 1su6 s ALA 367 Ca 0.03 -0.87 0.16 0.00 0.00 0.00 0.00 51.96 51.28 1su6 s ALA 367 Cb -0.17 -1.33 1.14 0.00 0.00 0.00 0.00 23.12 22.76 1su6 s ALA 367 CO 0.03 0.29 2.03 0.93 0.00 0.00 0.00 175.76 179.04 1su6 h GLU 368 N 6.45 0.25 0.00 0.00 3.07 -1.97 0.13 114.58 122.50 1su6 h GLU 368 Ca -0.32 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.52 1su6 h GLU 368 Cb 1.20 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1su6 h GLU 368 CO 0.58 0.16 -0.03 0.93 -1.40 0.00 0.00 179.01 179.25 1su6 h GLU 369 N 0.26 0.00 0.00 2.33 3.07 -1.94 -2.94 114.58 115.36 1su6 h GLU 369 Ca 0.20 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.05 1su6 h GLU 369 Cb 0.47 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.34 1su6 h GLU 369 CO -0.04 0.03 -0.36 0.00 -1.40 0.00 0.00 179.01 177.25 1su6 n ALA 370 N -2.41 2.86 -0.05 3.43 0.00 0.36 -4.83 120.51 119.86 1su6 n ALA 370 Ca -0.03 -2.76 -0.08 0.00 0.00 0.00 0.00 53.44 50.57 1su6 n ALA 370 Cb 0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 1su6 n ALA 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1su6 h ALA 371 N 0.53 0.21 -0.62 0.00 0.00 -1.08 0.33 119.26 118.62 1su6 h ALA 371 Ca -0.02 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1su6 h ALA 371 Cb 1.12 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1su6 h ALA 371 CO 0.01 -0.42 0.07 0.28 0.00 0.00 0.00 179.25 179.19 1su6 h VAL 372 N 0.08 1.26 -0.14 0.00 2.07 -1.88 0.29 116.25 117.93 1su6 h VAL 372 Ca 0.11 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1su6 h VAL 372 Cb 0.13 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1su6 h VAL 372 CO -0.18 0.39 0.08 -0.33 0.02 0.00 0.00 177.57 177.55 1su6 h GLU 373 N 0.95 0.20 -0.78 1.57 5.08 -1.70 -2.01 114.58 117.89 1su6 h GLU 373 Ca 0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1su6 h GLU 373 Cb 0.47 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1su6 h GLU 373 CO 0.02 0.21 0.50 -0.91 -1.00 0.00 0.00 179.01 177.83 1su6 h ASN 374 N 0.13 0.92 -0.04 1.42 2.35 -0.22 -2.06 115.58 118.07 1su6 h ASN 374 Ca 0.05 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 1su6 h ASN 374 Cb 0.07 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1su6 h ASN 374 CO -0.01 0.68 -0.22 0.00 -1.65 0.00 0.00 177.43 176.23 1su6 h ALA 375 N 1.48 1.18 -0.38 -0.83 0.00 -0.61 -1.56 119.26 118.54 1su6 h ALA 375 Ca 0.28 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1su6 h ALA 375 Cb -0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1su6 h ALA 375 CO -0.06 0.52 -0.28 0.87 0.00 0.00 0.00 179.25 180.31 1su6 h LYS 376 N 0.39 0.81 -0.63 0.00 1.57 -0.80 -0.52 116.57 117.39 1su6 h LYS 376 Ca 0.06 -0.36 0.05 0.00 -1.87 0.00 0.00 60.65 58.53 1su6 h LYS 376 Cb 0.61 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 1su6 h LYS 376 CO 0.04 0.99 0.36 0.37 -0.57 0.00 0.00 179.45 180.64 1su6 h GLN 377 N 0.69 0.67 -0.29 3.15 4.15 -1.02 0.72 115.11 123.19 1su6 h GLN 377 Ca 0.08 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 1su6 h GLN 377 Cb 0.81 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 1su6 h GLN 377 CO 0.07 0.44 0.01 0.82 -1.93 0.00 0.00 178.83 178.25 1su6 h ILE 378 N 0.69 1.25 0.00 2.39 2.04 -1.00 -1.97 117.51 120.91 1su6 h ILE 378 Ca 0.27 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1su6 h ILE 378 Cb 0.12 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1su6 h ILE 378 CO -0.15 0.29 -0.17 -0.07 0.00 0.00 0.00 178.15 178.04 1su6 h LEU 379 N 0.29 0.00 -0.41 1.44 3.38 -0.83 -2.33 115.31 116.85 1su6 h LEU 379 Ca 0.08 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1su6 h LEU 379 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1su6 h LEU 379 CO 0.01 0.17 -0.73 0.03 0.09 0.00 0.00 178.44 178.02 1su6 h ARG 380 N 0.00 0.39 -0.94 1.13 3.08 -0.37 -0.67 114.38 117.00 1su6 h ARG 380 Ca -0.00 -0.32 0.06 0.00 0.07 0.00 0.00 59.98 59.78 1su6 h ARG 380 Cb 0.51 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.56 1su6 h ARG 380 CO 0.02 0.96 0.60 -0.07 -1.07 0.00 0.00 179.97 180.41 1su6 h LEU 381 N 0.27 0.97 -0.64 3.04 3.38 -0.85 -1.94 115.31 119.55 1su6 h LEU 381 Ca -0.03 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1su6 h LEU 381 Cb 1.30 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1su6 h LEU 381 CO 0.12 0.63 0.38 0.00 0.09 0.00 0.00 178.44 179.67 1su6 h ALA 382 N 1.42 0.83 -0.39 1.53 0.00 -0.93 -1.62 119.26 120.10 1su6 h ALA 382 Ca 0.40 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 1su6 h ALA 382 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1su6 h ALA 382 CO -0.16 0.11 -0.28 0.82 0.00 0.00 0.00 179.25 179.75 1su6 h ILE 383 N 0.74 1.28 -0.76 0.00 2.04 -0.86 -0.58 117.51 119.37 1su6 h ILE 383 Ca 0.26 -1.44 0.09 0.00 1.00 0.00 0.00 64.86 64.78 1su6 h ILE 383 Cb 0.06 1.34 -0.07 0.00 -0.74 0.00 0.00 36.82 37.41 1su6 h ILE 383 CO -0.12 0.48 0.40 0.44 0.00 0.00 0.00 178.15 179.35 1su6 h ASP 384 N 0.68 0.55 -0.43 1.72 3.45 -1.15 -0.82 116.42 120.42 1su6 h ASP 384 Ca 0.08 0.06 -0.05 0.00 0.43 0.00 0.00 57.03 57.54 1su6 h ASP 384 Cb 0.85 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 39.56 1su6 h ASP 384 CO 0.07 0.31 0.08 0.74 -1.57 0.00 0.00 179.24 178.88 1su6 h THR 385 N 0.68 1.24 -0.63 0.35 2.02 -0.86 -2.03 112.91 113.67 1su6 h THR 385 Ca 0.37 -0.86 0.11 0.00 0.77 0.00 0.00 66.41 66.80 1su6 h THR 385 Cb 0.37 0.98 -0.08 0.00 -1.74 0.00 0.00 68.15 67.67 1su6 h THR 385 CO -0.26 0.30 0.19 0.15 0.37 0.00 0.00 175.52 176.28 1su6 h PHE 386 N 0.57 0.33 -0.02 3.16 3.57 -0.48 -1.68 116.94 122.38 1su6 h PHE 386 Ca 0.13 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 1su6 h PHE 386 Cb 0.36 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1su6 h PHE 386 CO 0.02 0.03 -0.28 0.87 -2.23 0.00 0.00 178.31 176.72 1su6 h LYS 387 N 0.34 0.04 0.00 1.11 1.57 -0.66 -1.92 116.57 117.05 1su6 h LYS 387 Ca 0.33 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1su6 h LYS 387 Cb 0.47 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1su6 h LYS 387 CO -0.37 0.32 0.00 0.54 -0.57 0.00 0.00 179.45 179.37 1su6 n ARG 388 N -4.19 0.18 -0.64 3.15 1.74 -0.65 -2.26 116.66 114.00 1su6 n ARG 388 Ca -0.02 0.26 0.09 0.00 -0.77 0.00 0.00 57.85 57.41 1su6 n ARG 388 Cb 0.34 -1.76 0.35 0.00 -1.02 0.00 0.00 32.46 30.37 1su6 n ARG 388 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1su6 n ARG 389 N -2.09 3.88 -1.69 5.56 1.85 -0.73 -4.90 116.66 118.54 1su6 n ARG 389 Ca 0.04 -2.91 -0.53 0.00 -1.00 0.00 0.00 57.85 53.45 1su6 n ARG 389 Cb 0.33 -1.94 -0.06 0.00 -1.05 0.00 0.00 32.46 29.74 1su6 n ARG 389 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1su6 n LYS 390 N 0.79 1.59 0.00 2.89 5.02 -0.96 -0.95 118.16 126.53 1su6 n LYS 390 Ca 0.25 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 1su6 n LYS 390 Cb 0.94 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1su6 n LYS 390 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1su6 n GLY 391 N 4.20 2.49 3.76 0.72 0.00 -1.26 -5.05 105.19 110.06 1su6 n GLY 391 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 1su6 n GLY 391 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1su6 s LYS 392 N -0.62 4.65 0.40 1.61 1.02 -0.13 -5.01 119.74 121.67 1su6 s LYS 392 Ca 0.00 1.58 -0.24 0.00 0.02 0.00 0.00 55.97 57.33 1su6 s LYS 392 Cb 0.00 -3.08 -0.09 0.00 -0.52 0.00 0.00 37.83 34.14 1su6 s LYS 392 CO 0.00 0.29 1.07 -1.25 -0.92 0.00 0.00 175.35 174.54 1su6 s PRO 393 N -1.58 4.13 0.34 -1.68 0.04 -1.26 -5.06 135.00 129.93 1su6 s PRO 393 Ca 0.46 1.57 0.08 0.00 0.04 0.00 0.00 61.00 63.15 1su6 s PRO 393 Cb -0.26 -2.56 -0.07 0.00 0.04 0.00 0.00 34.50 31.65 1su6 s PRO 393 CO 0.33 -0.18 -0.06 0.14 0.04 0.00 0.00 177.00 177.27 1su6 s VAL 394 N -1.61 2.01 -0.43 -0.36 -7.23 -1.26 -4.95 120.40 106.56 1su6 s VAL 394 Ca 0.58 -2.15 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1su6 s VAL 394 Cb -0.24 -2.66 0.14 0.00 0.56 0.00 0.00 36.38 34.18 1su6 s VAL 394 CO 0.30 -0.19 0.24 -0.70 -0.31 0.00 0.00 175.10 174.44 1su6 s GLU 395 N -3.67 1.22 -0.37 4.82 2.12 0.49 -5.04 118.70 118.27 1su6 s GLU 395 Ca 0.32 -1.95 -0.19 0.00 0.36 0.00 0.00 54.97 53.51 1su6 s GLU 395 Cb 0.04 -2.24 0.00 0.00 0.26 0.00 0.00 34.13 32.20 1su6 s GLU 395 CO 0.16 -1.17 0.57 0.42 -0.54 0.00 0.00 175.26 174.70 1su6 s ILE 396 N 0.41 4.94 0.23 -3.70 1.01 -1.26 -4.31 121.20 118.51 1su6 s ILE 396 Ca 0.18 0.34 -0.32 0.00 0.00 0.00 0.00 60.65 60.86 1su6 s ILE 396 Cb -0.24 -4.05 -0.13 0.00 0.01 0.00 0.00 42.46 38.05 1su6 s ILE 396 CO -0.00 -0.33 1.47 -2.65 0.00 0.00 0.00 174.94 173.43 1su6 n PRO 397 N 5.93 2.14 -1.80 2.79 -0.02 -1.26 -4.83 135.00 137.95 1su6 n PRO 397 Ca -0.03 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 61.81 1su6 n PRO 397 Cb 0.48 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1su6 n PRO 397 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1su6 n ASN 398 N 2.46 8.13 -3.77 2.55 5.15 -1.26 -3.01 115.26 125.50 1su6 n ASN 398 Ca 0.12 -2.97 -0.23 0.00 -0.60 0.00 0.00 54.58 50.91 1su6 n ASN 398 Cb 0.31 -1.43 -0.17 0.00 -0.53 0.00 0.00 39.78 37.96 1su6 n ASN 398 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1su6 s ILE 399 N -0.06 0.37 0.18 -1.44 1.01 -1.26 -4.97 121.20 115.03 1su6 s ILE 399 Ca 0.58 0.12 -0.21 0.00 0.00 0.00 0.00 60.65 61.14 1su6 s ILE 399 Cb 0.18 -0.52 0.05 0.00 0.01 0.00 0.00 42.46 42.18 1su6 s ILE 399 CO -0.08 0.26 0.59 -1.59 0.00 0.00 0.00 174.94 174.11 1su6 s LYS 400 N 1.93 1.35 0.28 2.79 -2.85 -1.26 -1.67 119.74 120.31 1su6 s LYS 400 Ca 0.04 -0.62 0.10 0.00 -1.00 0.00 0.00 55.97 54.49 1su6 s LYS 400 Cb -0.12 0.57 -0.05 0.00 -2.06 0.00 0.00 37.83 36.16 1su6 s LYS 400 CO -0.05 -0.59 -0.15 0.95 0.10 0.00 0.00 175.35 175.61 1su6 s THR 401 N -3.80 2.22 0.04 3.79 -4.23 -0.58 -4.95 115.64 108.13 1su6 s THR 401 Ca 0.04 -2.30 -0.17 0.00 -1.18 0.00 0.00 61.69 58.08 1su6 s THR 401 Cb -0.01 -2.36 -0.06 0.00 1.34 0.00 0.00 72.50 71.41 1su6 s THR 401 CO -0.09 -0.37 0.48 -0.75 -0.54 0.00 0.00 174.62 173.35 1su6 s LYS 402 N -3.58 4.04 -0.15 3.99 2.20 -1.26 -1.50 119.74 123.48 1su6 s LYS 402 Ca 0.29 0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 56.44 1su6 s LYS 402 Cb -0.02 -3.22 0.04 0.00 -1.51 0.00 0.00 37.83 33.13 1su6 s LYS 402 CO 0.14 0.66 -0.03 0.08 -0.36 0.00 0.00 175.35 175.84 1su6 s VAL 403 N -1.11 0.89 -0.14 4.02 1.01 0.18 -3.64 120.40 121.61 1su6 s VAL 403 Ca 0.26 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 1su6 s VAL 403 Cb -0.18 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1su6 s VAL 403 CO 0.16 0.12 0.30 -0.69 0.00 0.00 0.00 175.10 174.99 1su6 s VAL 404 N 1.73 5.29 0.00 2.92 1.01 0.60 -0.26 120.40 131.69 1su6 s VAL 404 Ca 0.02 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1su6 s VAL 404 Cb -0.15 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1su6 s VAL 404 CO -0.07 0.43 0.00 0.00 0.00 0.00 0.00 175.10 175.45 1su6 n ALA 405 N 3.24 0.00 -0.76 5.51 0.00 0.29 -4.66 120.51 124.12 1su6 n ALA 405 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1su6 n ALA 405 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1su6 n ALA 405 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1su6 n GLY 406 N 0.00 0.61 2.94 0.00 0.00 -1.24 -1.33 105.19 106.16 1su6 n GLY 406 Ca 0.00 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1su6 n GLY 406 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1su6 n PHE 407 N -2.73 3.26 -0.61 1.61 3.01 -0.66 -2.95 117.46 118.39 1su6 n PHE 407 Ca 0.00 -2.87 -0.31 0.00 1.01 0.00 0.00 57.45 55.28 1su6 n PHE 407 Cb 0.04 -2.04 0.20 0.00 -0.01 0.00 0.00 39.48 37.66 1su6 n PHE 407 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1su6 n SER 408 N 4.35 -1.51 -0.13 4.37 3.41 -1.26 -4.24 113.62 118.61 1su6 n SER 408 Ca 0.41 0.05 -0.05 0.00 -0.26 0.00 0.00 58.87 59.01 1su6 n SER 408 Cb 0.37 -1.23 0.14 0.00 -0.26 0.00 0.00 64.21 63.24 1su6 n SER 408 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1su6 h THR 409 N -2.20 1.25 -0.65 6.66 2.02 -1.92 -1.27 112.91 116.80 1su6 h THR 409 Ca -0.53 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 65.65 1su6 h THR 409 Cb 1.32 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1su6 h THR 409 CO 0.42 0.36 0.43 -0.33 0.37 0.00 0.00 175.52 176.77 1su6 h GLU 410 N 0.80 0.84 -0.74 6.66 3.07 -1.91 0.70 114.58 124.00 1su6 h GLU 410 Ca 0.16 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.92 1su6 h GLU 410 Cb 0.45 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 1su6 h GLU 410 CO 0.02 0.56 0.27 0.00 -1.40 0.00 0.00 179.01 178.46 1su6 h ALA 411 N 1.24 1.08 -0.43 3.43 0.00 -1.69 0.17 119.26 123.07 1su6 h ALA 411 Ca 0.24 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1su6 h ALA 411 Cb -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1su6 h ALA 411 CO -0.06 0.64 -0.01 0.82 0.00 0.00 0.00 179.25 180.65 1su6 h ILE 412 N 1.09 1.26 -0.21 0.00 2.04 -0.75 -0.03 117.51 120.90 1su6 h ILE 412 Ca 0.25 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1su6 h ILE 412 Cb 0.24 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1su6 h ILE 412 CO -0.02 0.35 0.12 0.40 0.00 0.00 0.00 178.15 179.01 1su6 h ILE 413 N 0.59 1.10 -0.79 -0.67 2.04 -0.66 -1.00 117.51 118.12 1su6 h ILE 413 Ca 0.12 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.74 1su6 h ILE 413 Cb 0.50 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1su6 h ILE 413 CO 0.02 0.09 0.53 -1.13 0.00 0.00 0.00 178.15 177.66 1su6 h ASN 414 N 0.25 0.91 -0.40 1.72 -1.24 -0.46 0.13 115.58 116.49 1su6 h ASN 414 Ca 0.08 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.00 1su6 h ASN 414 Cb 0.04 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.85 1su6 h ASN 414 CO -0.01 0.66 0.02 0.00 -1.29 0.00 0.00 177.43 176.81 1su6 h ALA 415 N 1.51 0.54 0.00 1.57 0.00 -0.55 -2.35 119.26 119.97 1su6 h ALA 415 Ca 0.29 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1su6 h ALA 415 Cb -0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1su6 h ALA 415 CO -0.06 0.30 -0.27 -0.07 0.00 0.00 0.00 179.25 179.14 1su6 h LEU 416 N 0.53 0.00 -1.79 0.00 3.38 -0.72 -2.77 115.31 113.94 1su6 h LEU 416 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1su6 h LEU 416 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1su6 h LEU 416 CO 0.02 0.27 0.00 0.77 0.09 0.00 0.00 178.44 179.59 1su6 h SER 417 N 0.00 0.00 0.78 -0.43 4.64 -0.41 0.04 113.55 118.17 1su6 h SER 417 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1su6 h SER 417 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1su6 h SER 417 CO 0.04 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 1su6 n LYS 418 N -2.74 0.20 -0.00 4.77 4.76 -1.05 -1.91 118.16 122.18 1su6 n LYS 418 Ca -0.01 0.40 0.08 0.00 -2.87 0.00 0.00 58.31 55.91 1su6 n LYS 418 Cb 0.16 -1.86 -0.11 0.00 -1.84 0.00 0.00 35.03 31.38 1su6 n LYS 418 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1su6 n LEU 419 N -2.23 0.31 -3.14 -0.35 4.77 -0.02 -4.84 117.00 111.50 1su6 n LEU 419 Ca 0.02 -0.21 0.04 0.00 -0.03 0.00 0.00 56.01 55.84 1su6 n LEU 419 Cb 0.24 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1su6 n LEU 419 CO 0.20 0.08 0.20 0.21 -1.33 0.00 0.00 177.39 176.76 1su6 s ASN 420 N -3.29 -1.31 0.18 -1.43 3.04 -1.04 -4.98 114.94 106.12 1su6 s ASN 420 Ca -0.01 0.03 -0.13 0.00 0.04 0.00 0.00 52.86 52.79 1su6 s ASN 420 Cb 0.11 1.80 0.09 0.00 -1.54 0.00 0.00 41.25 41.70 1su6 s ASN 420 CO 0.66 -0.22 1.80 0.00 -3.04 0.00 0.00 177.10 176.30 1su6 h ALA 421 N 7.61 0.77 -0.03 1.71 0.00 -1.68 -3.08 119.26 124.56 1su6 h ALA 421 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1su6 h ALA 421 Cb 1.19 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1su6 h ALA 421 CO 0.08 0.27 -0.04 0.09 0.00 0.00 0.00 179.25 179.65 1su6 n ASN 422 N -4.60 2.57 -3.03 0.00 3.02 -1.26 -4.51 115.26 107.45 1su6 n ASN 422 Ca 0.04 -1.83 -0.18 0.00 -0.03 0.00 0.00 54.58 52.58 1su6 n ASN 422 Cb 0.07 0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.26 1su6 n ASN 422 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1su6 n ASP 423 N 0.95 -0.76 0.16 6.41 -0.08 -1.18 -5.00 116.55 117.05 1su6 n ASP 423 Ca 0.15 -2.99 0.05 0.00 -1.51 0.00 0.00 54.79 50.48 1su6 n ASP 423 Cb 0.53 0.24 0.48 0.00 2.34 0.00 0.00 41.12 44.72 1su6 n ASP 423 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1su6 h PRO 424 N 3.76 0.16 0.00 -0.67 0.14 -1.77 -0.93 132.00 132.69 1su6 h PRO 424 Ca 0.00 -0.03 -0.07 0.00 0.14 0.00 0.00 66.00 66.05 1su6 h PRO 424 Cb 0.95 -0.03 -0.01 0.00 0.14 0.00 0.00 31.00 32.05 1su6 h PRO 424 CO 0.40 0.24 -0.34 -0.07 0.14 0.00 0.00 178.00 178.38 1su6 h LEU 425 N 0.16 0.00 -0.38 1.56 3.38 -1.91 -3.34 115.31 114.78 1su6 h LEU 425 Ca 0.04 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1su6 h LEU 425 Cb 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1su6 h LEU 425 CO 0.01 0.34 0.08 0.50 0.09 0.00 0.00 178.44 179.46 1su6 h LYS 426 N 0.00 0.21 -0.82 1.13 3.64 -1.55 -0.78 116.57 118.40 1su6 h LYS 426 Ca -0.00 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1su6 h LYS 426 Cb 0.93 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.64 1su6 h LYS 426 CO 0.04 0.14 0.53 -1.35 -2.27 0.00 0.00 179.45 176.55 1su6 h PRO 427 N 0.21 0.68 -0.28 1.90 0.11 -1.72 0.38 132.00 133.28 1su6 h PRO 427 Ca 0.18 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 1su6 h PRO 427 Cb 0.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1su6 h PRO 427 CO -0.23 0.45 0.06 1.25 -0.21 0.00 0.00 178.00 179.31 1su6 h LEU 428 N 0.70 0.44 -0.80 2.35 5.85 -1.36 -2.75 115.31 119.74 1su6 h LEU 428 Ca 0.39 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1su6 h LEU 428 Cb 0.56 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1su6 h LEU 428 CO -0.16 0.58 -0.13 0.40 -0.34 0.00 0.00 178.44 178.79 1su6 h ILE 429 N 0.29 1.26 -0.92 4.05 2.04 -0.51 -1.84 117.51 121.88 1su6 h ILE 429 Ca 0.09 -1.20 0.13 0.00 1.00 0.00 0.00 64.86 64.88 1su6 h ILE 429 Cb 0.32 1.08 -0.09 0.00 -0.74 0.00 0.00 36.82 37.39 1su6 h ILE 429 CO 0.00 0.41 0.54 0.44 0.00 0.00 0.00 178.15 179.54 1su6 h ASP 430 N 0.68 0.74 1.75 1.72 3.32 -0.21 0.25 116.42 124.68 1su6 h ASP 430 Ca 0.11 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1su6 h ASP 430 Cb 0.61 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1su6 h ASP 430 CO 0.04 0.36 -0.25 0.78 -1.72 0.00 0.00 179.24 178.45 1su6 h ASN 431 N 0.81 0.00 -0.16 6.45 2.35 -1.12 0.30 115.58 124.21 1su6 h ASN 431 Ca 0.48 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.20 1su6 h ASN 431 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1su6 h ASN 431 CO -0.30 0.18 -0.01 0.58 -1.65 0.00 0.00 177.43 176.23 1su6 h VAL 432 N 0.00 1.27 -0.19 2.81 2.07 -0.73 0.18 116.25 121.65 1su6 h VAL 432 Ca -0.01 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1su6 h VAL 432 Cb 1.14 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1su6 h VAL 432 CO 0.02 0.27 0.01 0.58 0.02 0.00 0.00 177.57 178.47 1su6 h VAL 433 N 0.02 1.25 0.00 2.57 2.07 -0.51 -2.38 116.25 119.27 1su6 h VAL 433 Ca 0.04 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1su6 h VAL 433 Cb 0.41 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1su6 h VAL 433 CO 0.01 0.25 0.00 -0.46 0.02 0.00 0.00 177.57 177.39 1su6 n ASN 434 N -4.72 0.00 0.00 0.57 0.23 0.10 -4.83 115.26 106.61 1su6 n ASN 434 Ca -0.05 0.34 0.00 0.00 -0.53 0.00 0.00 54.58 54.35 1su6 n ASN 434 Cb 0.22 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.48 1su6 n ASN 434 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1su6 n GLY 435 N 0.97 0.24 0.22 4.83 0.00 -0.45 -4.91 105.19 106.08 1su6 n GLY 435 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.14 1su6 n GLY 435 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1su6 h ASN 436 N 0.00 0.02 -3.59 1.61 -0.26 -1.39 -3.37 115.58 108.60 1su6 h ASN 436 Ca 0.00 -0.00 -0.67 0.00 -0.56 0.00 0.00 56.30 55.06 1su6 h ASN 436 Cb 0.00 -0.01 -0.35 0.00 -1.06 0.00 0.00 38.32 36.91 1su6 h ASN 436 CO 0.00 0.24 -0.79 -0.63 -1.06 0.00 0.00 177.43 175.19 1su6 s ILE 437 N -4.55 2.41 0.16 2.81 -1.09 0.48 -1.88 121.20 119.54 1su6 s ILE 437 Ca -0.04 -1.30 -0.10 0.00 -2.23 0.00 0.00 60.65 56.98 1su6 s ILE 437 Cb 0.15 -2.28 0.00 0.00 -1.58 0.00 0.00 42.46 38.76 1su6 s ILE 437 CO 0.71 0.14 1.55 -0.09 -1.23 0.00 0.00 174.94 176.02 1su6 h ARG 438 N 7.89 1.01 0.00 2.79 2.43 -1.20 -3.35 114.38 123.95 1su6 h ARG 438 Ca -0.29 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.45 1su6 h ARG 438 Cb 1.08 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1su6 h ARG 438 CO 0.54 1.11 0.00 0.41 -1.51 0.00 0.00 179.97 180.52 1su6 n GLY 439 N -0.10 -0.90 3.08 2.80 0.00 -1.26 -4.92 105.19 103.89 1su6 n GLY 439 Ca 0.00 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 1su6 n GLY 439 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1su6 s VAL 440 N -3.00 1.36 -0.11 1.61 1.01 -0.33 -0.87 120.40 120.07 1su6 s VAL 440 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1su6 s VAL 440 Cb 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.18 1su6 s VAL 440 CO 0.00 0.40 -0.22 0.00 0.00 0.00 0.00 175.10 175.29 1su6 s LEU 442 N 0.55 4.16 -0.12 0.00 2.96 -0.33 -1.14 118.68 124.76 1su6 s LEU 442 Ca -0.15 0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.81 1su6 s LEU 442 Cb -0.17 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 1su6 s LEU 442 CO 0.05 -0.31 0.46 -0.36 -1.32 0.00 0.00 176.35 174.87 1su6 s PHE 443 N 2.23 3.52 0.23 5.38 0.08 -0.39 -0.29 117.98 128.73 1su6 s PHE 443 Ca 0.18 0.87 -0.01 0.00 0.12 0.00 0.00 56.93 58.09 1su6 s PHE 443 Cb -0.16 -2.53 -0.03 0.00 -0.57 0.00 0.00 43.02 39.73 1su6 s PHE 443 CO 0.11 0.19 0.19 0.00 -0.10 0.00 0.00 175.22 175.61 1su6 s ALA 444 N 0.54 1.14 0.00 5.36 0.00 -0.63 -1.80 121.76 126.38 1su6 s ALA 444 Ca 0.25 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.53 1su6 s ALA 444 Cb -0.15 1.37 0.00 0.00 0.00 0.00 0.00 23.12 24.34 1su6 s ALA 444 CO 0.10 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1su6 n GLY 445 N -0.34 -1.97 3.96 0.00 0.00 -1.26 -4.15 105.19 101.44 1su6 n GLY 445 Ca 0.02 -1.62 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 1su6 n GLY 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su6 s ASN 447 N -4.73 6.09 -0.03 0.00 0.01 -1.23 -3.97 114.94 111.07 1su6 s ASN 447 Ca 0.67 0.58 0.00 0.00 -0.71 0.00 0.00 52.86 53.41 1su6 s ASN 447 Cb -0.06 -1.94 0.03 0.00 0.41 0.00 0.00 41.25 39.69 1su6 s ASN 447 CO 0.47 -0.57 0.01 0.21 -1.51 0.00 0.00 177.10 175.71 1su6 s ASN 448 N -4.13 0.37 0.62 -1.22 3.84 -1.14 -4.47 114.94 108.80 1su6 s ASN 448 Ca 0.46 -0.01 0.31 0.00 0.21 0.00 0.00 52.86 53.84 1su6 s ASN 448 Cb -0.10 -0.18 1.73 0.00 -0.55 0.00 0.00 41.25 42.15 1su6 s ASN 448 CO 0.40 -0.11 2.07 1.62 -2.79 0.00 0.00 177.10 178.29 1su6 h VAL 449 N 6.26 0.28 0.00 -5.21 3.04 -1.95 0.81 116.25 119.49 1su6 h VAL 449 Ca -0.42 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 1su6 h VAL 449 Cb 1.13 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 1su6 h VAL 449 CO 0.46 0.00 0.00 0.11 -1.01 0.00 0.00 177.57 177.13 1su6 h LYS 450 N 0.00 0.00 -5.48 4.17 1.57 -1.98 -3.42 116.57 111.43 1su6 h LYS 450 Ca 0.07 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.20 1su6 h LYS 450 Cb 0.56 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.66 1su6 h LYS 450 CO -0.00 0.00 -0.67 0.08 -0.57 0.00 0.00 179.45 178.29 1su6 s VAL 451 N -3.61 3.85 -0.02 0.50 1.01 0.28 -5.06 120.40 117.34 1su6 s VAL 451 Ca 0.02 -0.38 -0.36 0.00 0.00 0.00 0.00 61.98 61.25 1su6 s VAL 451 Cb 0.09 -2.66 -0.15 0.00 0.00 0.00 0.00 36.38 33.66 1su6 s VAL 451 CO 0.51 0.52 1.60 -2.65 0.00 0.00 0.00 175.10 175.08 1su6 n PRO 452 N 3.22 1.57 -1.68 2.72 -0.02 -1.26 -4.63 135.00 134.92 1su6 n PRO 452 Ca -0.18 0.57 -0.46 0.00 -2.02 0.00 0.00 63.50 61.41 1su6 n PRO 452 Cb 0.53 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.68 1su6 n PRO 452 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1su6 n GLN 453 N 4.21 2.35 -0.26 -0.52 7.27 -0.38 -1.41 117.38 128.64 1su6 n GLN 453 Ca 0.21 0.86 0.00 0.00 0.07 0.00 0.00 57.00 58.13 1su6 n GLN 453 Cb 0.22 -2.70 0.00 0.00 2.41 0.00 0.00 30.24 30.17 1su6 n GLN 453 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1su6 n ASP 454 N 5.63 0.00 -0.29 1.69 8.00 -1.26 -1.28 116.55 129.04 1su6 n ASP 454 Ca 0.20 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.74 1su6 n ASP 454 Cb 0.32 -0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.65 1su6 n ASP 454 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1su6 h GLN 455 N 2.26 1.00 -0.04 -1.24 4.15 -1.58 -0.53 115.11 119.12 1su6 h GLN 455 Ca 0.00 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.31 1su6 h GLN 455 Cb 0.00 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.47 1su6 h GLN 455 CO 0.00 0.66 -0.15 -0.91 -1.93 0.00 0.00 178.83 176.50 1su6 h ASN 456 N 1.03 0.21 -0.72 -0.69 2.35 -1.89 -2.14 115.58 113.72 1su6 h ASN 456 Ca 0.37 -0.63 0.08 0.00 -0.55 0.00 0.00 56.30 55.58 1su6 h ASN 456 Cb 0.16 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.40 1su6 h ASN 456 CO -0.13 0.80 0.38 -0.26 -1.65 0.00 0.00 177.43 176.57 1su6 h PHE 457 N -0.37 0.69 0.12 1.19 -1.00 -1.79 -0.98 116.94 114.80 1su6 h PHE 457 Ca -0.01 0.03 -0.28 0.00 2.81 0.00 0.00 57.97 60.52 1su6 h PHE 457 Cb 0.78 -0.20 -0.00 0.00 3.61 0.00 0.00 35.95 40.14 1su6 h PHE 457 CO 0.13 0.28 -1.36 1.79 -1.61 0.00 0.00 178.31 177.55 1su6 h THR 458 N 0.66 1.36 -0.05 -1.55 1.35 -1.14 -1.20 112.91 112.35 1su6 h THR 458 Ca 0.34 -2.97 -0.00 0.00 -0.55 0.00 0.00 66.41 63.23 1su6 h THR 458 Cb 0.31 2.86 -0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1su6 h THR 458 CO -0.24 0.86 0.02 0.74 -0.25 0.00 0.00 175.52 176.65 1su6 h THR 459 N 0.07 1.10 -0.22 6.82 2.02 -1.26 -0.23 112.91 121.21 1su6 h THR 459 Ca -0.17 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 1su6 h THR 459 Cb 1.98 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 69.60 1su6 h THR 459 CO 0.18 0.08 -0.02 0.40 0.37 0.00 0.00 175.52 176.54 1su6 h ILE 460 N -0.04 1.26 -0.97 3.11 2.04 -1.25 -2.94 117.51 118.73 1su6 h ILE 460 Ca 0.02 -0.93 0.06 0.00 1.00 0.00 0.00 64.86 65.00 1su6 h ILE 460 Cb 0.11 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 1su6 h ILE 460 CO -0.00 0.29 0.62 0.00 0.00 0.00 0.00 178.15 179.06 1su6 h ALA 461 N 0.78 1.33 -0.35 1.87 0.00 -1.13 -1.92 119.26 119.84 1su6 h ALA 461 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1su6 h ALA 461 Cb 0.43 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1su6 h ALA 461 CO 0.01 0.43 0.22 0.00 0.00 0.00 0.00 179.25 179.91 1su6 h ARG 462 N 1.15 0.46 -0.45 0.00 3.08 -0.93 -0.85 114.38 116.85 1su6 h ARG 462 Ca 0.41 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.32 1su6 h ARG 462 Cb 0.14 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1su6 h ARG 462 CO -0.16 0.33 -0.17 -0.22 -1.07 0.00 0.00 179.97 178.67 1su6 h LYS 463 N 0.46 0.86 -0.59 0.04 1.63 -1.29 -2.41 116.57 115.26 1su6 h LYS 463 Ca 0.13 -0.33 -0.09 0.00 -0.85 0.00 0.00 60.65 59.51 1su6 h LYS 463 Cb -0.02 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 1su6 h LYS 463 CO -0.03 0.96 0.03 -0.07 -3.45 0.00 0.00 179.45 176.90 1su6 h LEU 464 N 0.76 1.00 -0.71 5.20 3.38 -1.23 -2.84 115.31 120.87 1su6 h LEU 464 Ca 0.11 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 1su6 h LEU 464 Cb 0.70 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1su6 h LEU 464 CO 0.05 1.04 -0.14 -0.07 0.09 0.00 0.00 178.44 179.42 1su6 h LEU 465 N 0.92 0.85 -1.78 1.67 3.38 -0.96 -0.94 115.31 118.45 1su6 h LEU 465 Ca 0.17 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1su6 h LEU 465 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1su6 h LEU 465 CO 0.02 0.99 0.12 0.11 0.09 0.00 0.00 178.44 179.77 1su6 h LYS 466 N 0.76 0.26 -0.36 1.13 1.79 -1.46 -0.56 116.57 118.13 1su6 h LYS 466 Ca 0.12 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1su6 h LYS 466 Cb 0.65 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1su6 h LYS 466 CO 0.05 0.19 0.00 1.04 -1.08 0.00 0.00 179.45 179.64 1su6 n GLN 467 N -4.49 1.68 -1.56 3.15 1.13 -0.48 -3.97 117.38 112.84 1su6 n GLN 467 Ca -0.00 -0.88 -0.07 0.00 -1.94 0.00 0.00 57.00 54.11 1su6 n GLN 467 Cb 0.09 -1.29 -0.02 0.00 0.11 0.00 0.00 30.24 29.12 1su6 n GLN 467 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1su6 n ASN 468 N 0.19 -3.41 -4.72 1.08 3.02 -0.64 -4.48 115.26 106.29 1su6 n ASN 468 Ca 0.08 0.11 -0.41 0.00 -0.03 0.00 0.00 54.58 54.32 1su6 n ASN 468 Cb 0.27 -2.00 -0.04 0.00 -0.61 0.00 0.00 39.78 37.40 1su6 n ASN 468 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1su6 s VAL 469 N -2.30 4.68 -0.31 2.41 1.01 -0.49 -0.93 120.40 124.46 1su6 s VAL 469 Ca 0.00 2.03 -0.29 0.00 0.00 0.00 0.00 61.98 63.72 1su6 s VAL 469 Cb 0.00 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1su6 s VAL 469 CO 0.00 0.25 1.47 -0.22 0.00 0.00 0.00 175.10 176.61 1su6 s LEU 470 N 0.43 3.76 -0.20 3.92 2.96 -0.05 -4.52 118.68 124.98 1su6 s LEU 470 Ca 0.48 1.23 -0.08 0.00 -0.22 0.00 0.00 54.13 55.54 1su6 s LEU 470 Cb -0.22 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 1su6 s LEU 470 CO 0.28 -1.29 0.07 -0.69 -1.32 0.00 0.00 176.35 173.40 1su6 s VAL 471 N 5.15 4.77 0.22 1.68 1.01 -1.26 -1.26 120.40 130.71 1su6 s VAL 471 Ca 0.64 -0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.70 1su6 s VAL 471 Cb -0.19 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1su6 s VAL 471 CO 0.29 0.43 -0.22 0.68 0.00 0.00 0.00 175.10 176.28 1su6 s VAL 472 N 0.60 2.30 0.02 2.92 -7.23 -0.29 -1.25 120.40 117.47 1su6 s VAL 472 Ca 0.04 -2.14 -0.16 0.00 -1.81 0.00 0.00 61.98 57.91 1su6 s VAL 472 Cb -0.13 -2.14 0.03 0.00 0.56 0.00 0.00 36.38 34.70 1su6 s VAL 472 CO 0.01 -0.25 0.34 0.00 -0.31 0.00 0.00 175.10 174.90 1su6 s ALA 473 N -2.02 -0.82 0.19 1.32 0.00 -0.42 -1.27 121.76 118.74 1su6 s ALA 473 Ca 0.23 0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 1su6 s ALA 473 Cb -0.06 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1su6 s ALA 473 CO 0.11 -0.36 0.11 0.95 0.00 0.00 0.00 175.76 176.57 1su6 s THR 474 N -2.03 0.09 0.00 0.00 -4.23 -0.74 -0.70 115.64 108.03 1su6 s THR 474 Ca -0.08 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 1su6 s THR 474 Cb -0.02 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1su6 s THR 474 CO 0.00 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1su6 n GLY 475 N -0.25 2.79 0.17 3.99 0.00 0.14 -0.97 105.19 111.06 1su6 n GLY 475 Ca 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.97 1su6 n GLY 475 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su6 h GLY 477 N 4.95 0.45 0.91 0.00 0.00 -0.37 0.14 103.07 109.16 1su6 h GLY 477 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 47.33 46.67 1su6 h GLY 477 CO 0.00 0.61 0.56 0.00 0.00 0.00 0.00 176.54 177.70 1su6 h ALA 478 N 0.40 1.12 -0.34 3.60 0.00 -0.63 -1.59 119.26 121.82 1su6 h ALA 478 Ca -0.04 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1su6 h ALA 478 Cb 1.13 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1su6 h ALA 478 CO 0.09 0.42 0.08 0.78 0.00 0.00 0.00 179.25 180.62 1su6 h GLY 479 N 1.10 0.40 1.00 0.00 0.00 -0.94 0.20 103.07 104.82 1su6 h GLY 479 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1su6 h GLY 479 CO -0.10 -0.01 0.22 0.00 0.00 0.00 0.00 176.54 176.64 1su6 h ALA 480 N 1.24 0.42 -0.12 3.60 0.00 -0.69 -1.31 119.26 122.40 1su6 h ALA 480 Ca 0.16 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 1su6 h ALA 480 Cb 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1su6 h ALA 480 CO -0.20 -0.11 -0.66 -0.07 0.00 0.00 0.00 179.25 178.22 1su6 h LEU 481 N 0.44 0.54 -0.75 0.00 3.38 -1.02 -2.97 115.31 114.93 1su6 h LEU 481 Ca 0.12 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1su6 h LEU 481 Cb -0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1su6 h LEU 481 CO -0.03 1.05 0.14 0.00 0.09 0.00 0.00 178.44 179.70 1su6 h MET 482 N 0.34 1.09 0.00 1.13 -0.00 -0.36 -0.26 114.93 116.86 1su6 h MET 482 Ca -0.02 -0.27 0.00 0.00 -0.00 0.00 0.00 59.70 59.41 1su6 h MET 482 Cb 1.22 -0.14 0.00 0.00 -0.00 0.00 0.00 31.60 32.68 1su6 h MET 482 CO 0.12 0.98 0.00 0.54 -0.00 0.00 0.00 176.91 178.54 1su6 n ARG 483 N -4.23 0.02 -0.23 -0.10 1.74 -0.51 -2.26 116.66 111.09 1su6 n ARG 483 Ca 0.05 0.25 0.07 0.00 -0.77 0.00 0.00 57.85 57.45 1su6 n ARG 483 Cb 0.27 -1.54 0.17 0.00 -1.02 0.00 0.00 32.46 30.34 1su6 n ARG 483 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1su6 n HIS 484 N -1.58 0.46 -0.29 -1.55 8.25 -0.99 -4.80 115.22 114.72 1su6 n HIS 484 Ca 0.04 -0.78 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 1su6 n HIS 484 Cb 0.19 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1su6 n HIS 484 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1su6 n GLY 485 N -0.54 0.76 0.00 -1.41 0.00 -0.96 -4.96 105.19 98.09 1su6 n GLY 485 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 1su6 n GLY 485 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1su6 n PHE 486 N -2.16 0.00 -0.63 1.61 3.01 -0.14 -2.59 117.46 116.55 1su6 n PHE 486 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 1su6 n PHE 486 Cb 0.00 -0.25 0.20 0.00 -0.01 0.00 0.00 39.48 39.42 1su6 n PHE 486 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1su6 n MET 487 N -1.25 2.83 -3.68 -1.08 2.81 -1.26 -1.69 117.12 113.80 1su6 n MET 487 Ca 0.15 -2.46 -0.38 0.00 -1.81 0.00 0.00 57.70 53.20 1su6 n MET 487 Cb 0.22 -1.57 -0.12 0.00 -0.71 0.00 0.00 33.22 31.04 1su6 n MET 487 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1su6 s ASP 488 N -1.57 5.48 0.63 7.83 -1.08 -1.07 -0.29 116.67 126.60 1su6 s ASP 488 Ca 0.32 -0.39 0.36 0.00 -0.52 0.00 0.00 52.55 52.32 1su6 s ASP 488 Cb 0.24 -1.99 2.02 0.00 -1.46 0.00 0.00 42.92 41.73 1su6 s ASP 488 CO 0.11 -0.14 2.23 -0.65 0.52 0.00 0.00 175.17 177.23 1su6 h PRO 489 N 8.32 0.00 0.00 4.34 0.11 -1.87 -0.55 132.00 142.35 1su6 h PRO 489 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1su6 h PRO 489 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1su6 h PRO 489 CO 0.60 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 1su6 n ALA 490 N -2.16 1.42 -0.35 -0.75 0.00 -1.26 -2.22 120.51 115.18 1su6 n ALA 490 Ca -0.02 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.57 1su6 n ALA 490 Cb 0.17 -1.24 0.31 0.00 0.00 0.00 0.00 19.45 18.69 1su6 n ALA 490 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1su6 n ASN 491 N -1.82 3.86 -0.15 0.00 5.03 -0.21 -4.50 115.26 117.47 1su6 n ASN 491 Ca 0.02 -2.00 -0.09 0.00 0.87 0.00 0.00 54.58 53.38 1su6 n ASN 491 Cb 0.13 -0.47 -0.00 0.00 -1.02 0.00 0.00 39.78 38.42 1su6 n ASN 491 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1su6 h VAL 492 N 4.08 1.21 -0.63 2.41 2.07 -1.60 -1.14 116.25 122.65 1su6 h VAL 492 Ca 0.00 -0.70 0.08 0.00 0.82 0.00 0.00 66.70 66.91 1su6 h VAL 492 Cb 0.97 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 1su6 h VAL 492 CO 0.00 0.25 0.29 0.44 0.02 0.00 0.00 177.57 178.56 1su6 h ASP 493 N 0.55 0.35 -0.41 0.57 3.32 -1.83 0.29 116.42 119.25 1su6 h ASP 493 Ca 0.14 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 1su6 h ASP 493 Cb 0.24 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1su6 h ASP 493 CO -0.01 0.21 -0.21 -0.08 -1.72 0.00 0.00 179.24 177.43 1su6 h GLU 494 N 0.51 0.86 0.07 3.56 4.81 -1.80 -3.37 114.58 119.21 1su6 h GLU 494 Ca 0.31 -0.38 -0.34 0.00 -0.13 0.00 0.00 59.36 58.81 1su6 h GLU 494 Cb 0.33 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1su6 h GLU 494 CO -0.26 1.03 -1.97 1.28 -0.73 0.00 0.00 179.01 178.35 1su6 n LEU 495 N -4.21 1.92 -4.85 1.64 4.77 -0.45 -4.98 117.00 110.85 1su6 n LEU 495 Ca -0.01 0.23 -0.37 0.00 -0.03 0.00 0.00 56.01 55.83 1su6 n LEU 495 Cb 0.44 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 1su6 n LEU 495 CO 0.45 0.69 0.05 0.00 -1.33 0.00 0.00 177.39 177.25 1su6 s GLY 497 N -1.24 1.66 0.17 0.00 0.00 -0.31 -4.67 107.32 102.93 1su6 s GLY 497 Ca 0.24 0.43 -0.14 0.00 0.00 0.00 0.00 44.72 45.26 1su6 s GLY 497 CO 0.13 0.89 1.79 -0.55 0.00 0.00 0.00 173.10 175.36 1su6 h ASP 498 N -1.92 0.40 0.21 1.64 3.32 -1.91 0.54 116.42 118.71 1su6 h ASP 498 Ca -0.46 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1su6 h ASP 498 Cb 1.28 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 1su6 h ASP 498 CO 0.44 0.28 -0.21 1.23 -1.72 0.00 0.00 179.24 179.27 1su6 h GLY 499 N 0.52 -0.45 0.82 2.75 0.00 -1.92 0.18 103.07 104.97 1su6 h GLY 499 Ca 0.21 0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.80 1su6 h GLY 499 CO -0.13 -0.20 0.29 -2.00 0.00 0.00 0.00 176.54 174.51 1su6 h LEU 500 N -0.45 0.46 -0.57 3.11 5.85 -1.22 -1.93 115.31 120.56 1su6 h LEU 500 Ca -0.00 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.82 1su6 h LEU 500 Cb 0.42 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 1su6 h LEU 500 CO -0.04 0.32 0.18 0.50 -0.34 0.00 0.00 178.44 179.05 1su6 h LYS 501 N 0.58 0.33 -0.57 1.25 3.64 -0.56 0.07 116.57 121.31 1su6 h LYS 501 Ca 0.21 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.68 1su6 h LYS 501 Cb 0.06 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.73 1su6 h LYS 501 CO -0.12 0.22 0.09 0.00 -2.27 0.00 0.00 179.45 177.37 1su6 h ALA 502 N 1.42 0.64 -0.13 5.00 0.00 0.11 0.41 119.26 126.70 1su6 h ALA 502 Ca 0.29 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 1su6 h ALA 502 Cb 0.38 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1su6 h ALA 502 CO -0.32 -0.33 -0.19 0.28 0.00 0.00 0.00 179.25 178.69 1su6 h VAL 503 N 0.22 1.37 -0.53 0.00 2.07 -0.86 0.21 116.25 118.73 1su6 h VAL 503 Ca 0.29 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1su6 h VAL 503 Cb 0.43 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1su6 h VAL 503 CO -0.40 0.42 0.22 -0.07 0.02 0.00 0.00 177.57 177.76 1su6 h LEU 504 N -0.05 0.68 -0.05 2.57 3.38 -0.73 -0.38 115.31 120.74 1su6 h LEU 504 Ca 0.01 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1su6 h LEU 504 Cb 0.76 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1su6 h LEU 504 CO 0.04 0.61 -0.48 0.74 0.09 0.00 0.00 178.44 179.44 1su6 h THR 505 N 0.75 1.42 -0.58 0.22 2.02 0.03 -1.40 112.91 115.37 1su6 h THR 505 Ca 0.18 -1.91 0.09 0.00 0.77 0.00 0.00 66.41 65.55 1su6 h THR 505 Cb 0.13 2.42 -0.07 0.00 -1.74 0.00 0.00 68.15 68.89 1su6 h THR 505 CO -0.02 0.56 0.20 0.00 0.37 0.00 0.00 175.52 176.62 1su6 h ALA 506 N 0.39 0.73 -0.35 6.16 0.00 -0.39 -0.44 119.26 125.36 1su6 h ALA 506 Ca -0.05 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1su6 h ALA 506 Cb 1.16 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1su6 h ALA 506 CO 0.10 -0.22 -0.41 0.82 0.00 0.00 0.00 179.25 179.54 1su6 h ILE 507 N 0.37 1.28 -0.42 0.00 2.04 -1.09 -2.70 117.51 116.98 1su6 h ILE 507 Ca 0.29 -1.59 -0.14 0.00 1.00 0.00 0.00 64.86 64.42 1su6 h ILE 507 Cb 0.37 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1su6 h ILE 507 CO -0.31 0.52 -0.29 1.23 0.00 0.00 0.00 178.15 179.31 1su6 h GLY 508 N 0.82 1.02 0.66 5.37 0.00 -0.80 -2.39 103.07 107.76 1su6 h GLY 508 Ca 0.05 -0.97 0.07 0.00 0.00 0.00 0.00 47.33 46.48 1su6 h GLY 508 CO 0.10 0.88 0.49 0.83 0.00 0.00 0.00 176.54 178.83 1su6 h GLU 509 N 0.76 0.85 0.00 4.80 5.08 -1.12 -1.42 114.58 123.53 1su6 h GLU 509 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1su6 h GLU 509 Cb 0.87 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1su6 h GLU 509 CO 0.08 0.56 0.00 0.00 -1.00 0.00 0.00 179.01 178.65 1su6 h ALA 510 N 1.41 1.00 -0.54 3.43 0.00 -1.21 0.54 119.26 123.89 1su6 h ALA 510 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1su6 h ALA 510 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1su6 h ALA 510 CO -0.19 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.15 1su6 n ASN 511 N -2.39 5.51 -3.46 0.00 3.02 -0.57 -4.89 115.26 112.49 1su6 n ASN 511 Ca 0.02 -2.94 -0.20 0.00 -0.03 0.00 0.00 54.58 51.44 1su6 n ASN 511 Cb 0.26 -0.67 0.03 0.00 -0.61 0.00 0.00 39.78 38.79 1su6 n ASN 511 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1su6 n GLY 512 N 0.49 -1.14 0.04 7.41 0.00 0.18 -4.95 105.19 107.22 1su6 n GLY 512 Ca 0.27 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1su6 n GLY 512 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1su6 n LEU 513 N -3.17 0.44 -2.00 0.99 -0.00 -1.03 -4.99 117.00 107.24 1su6 n LEU 513 Ca -0.10 -0.54 -0.12 0.00 -0.00 0.00 0.00 56.01 55.26 1su6 n LEU 513 Cb 0.59 -0.01 -0.02 0.00 -0.00 0.00 0.00 43.42 43.97 1su6 n LEU 513 CO 0.62 0.13 -0.13 0.61 -0.00 0.00 0.00 177.39 178.61 1su6 n GLY 514 N -0.13 0.14 3.71 1.47 0.00 -1.26 -4.87 105.19 104.25 1su6 n GLY 514 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1su6 n GLY 514 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1su6 s GLY 515 N -2.01 -0.28 0.82 -0.02 0.00 -1.26 -4.98 107.32 99.59 1su6 s GLY 515 Ca 0.00 0.30 -0.12 0.00 0.00 0.00 0.00 44.72 44.91 1su6 s GLY 515 CO 0.00 0.06 1.11 2.56 0.00 0.00 0.00 173.10 176.84 1su6 s PRO 516 N -3.20 1.89 0.93 2.90 0.04 -1.26 -3.46 135.00 132.83 1su6 s PRO 516 Ca 0.11 0.49 -0.11 0.00 0.04 0.00 0.00 61.00 61.54 1su6 s PRO 516 Cb -0.01 -1.91 0.15 0.00 0.04 0.00 0.00 34.50 32.78 1su6 s PRO 516 CO 0.00 -1.72 1.11 -0.51 0.04 0.00 0.00 177.00 175.92 1su6 s LEU 517 N -5.80 2.51 0.96 -3.56 1.43 -0.87 -4.82 118.68 108.54 1su6 s LEU 517 Ca 0.61 1.97 -0.12 0.00 -1.03 0.00 0.00 54.13 55.57 1su6 s LEU 517 Cb -0.14 -4.33 0.17 0.00 0.03 0.00 0.00 46.19 41.92 1su6 s LEU 517 CO 0.53 -3.08 1.09 -2.16 0.23 0.00 0.00 176.35 172.96 1su6 s PRO 518 N -4.68 0.70 0.46 1.29 0.04 -1.26 -4.76 135.00 126.78 1su6 s PRO 518 Ca 0.66 0.88 0.13 0.00 0.04 0.00 0.00 61.00 62.71 1su6 s PRO 518 Cb -0.22 -1.74 1.04 0.00 0.04 0.00 0.00 34.50 33.62 1su6 s PRO 518 CO 0.59 -2.64 2.04 -1.35 0.04 0.00 0.00 177.00 175.68 1su6 h PRO 519 N -1.84 0.11 -4.97 0.56 0.11 -1.78 -3.41 132.00 120.78 1su6 h PRO 519 Ca -0.52 -0.02 -0.48 0.00 0.11 0.00 0.00 66.00 65.10 1su6 h PRO 519 Cb 1.30 -0.02 -0.31 0.00 0.11 0.00 0.00 31.00 32.08 1su6 h PRO 519 CO 0.53 0.18 -0.81 0.08 -0.21 0.00 0.00 178.00 177.76 1su6 s VAL 520 N -4.92 1.05 -0.28 3.15 1.01 -0.68 -4.47 120.40 115.25 1su6 s VAL 520 Ca -0.05 -0.52 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 1su6 s VAL 520 Cb 0.16 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1su6 s VAL 520 CO 0.70 0.31 0.34 -0.76 0.00 0.00 0.00 175.10 175.69 1su6 s LEU 521 N 0.02 4.06 -0.39 3.92 1.43 -0.38 -4.64 118.68 122.70 1su6 s LEU 521 Ca -0.01 0.20 -0.23 0.00 -1.03 0.00 0.00 54.13 53.06 1su6 s LEU 521 Cb -0.09 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 43.78 1su6 s LEU 521 CO 0.01 -0.17 0.76 -2.28 0.23 0.00 0.00 176.35 174.90 1su6 s HIS 522 N 2.01 3.08 -2.51 0.29 5.65 -1.26 -1.30 115.29 121.26 1su6 s HIS 522 Ca 0.13 0.41 0.24 0.00 0.25 0.00 0.00 55.06 56.09 1su6 s HIS 522 Cb -0.16 -3.43 0.33 0.00 -1.18 0.00 0.00 32.58 28.14 1su6 s HIS 522 CO 0.10 -0.79 1.32 -1.33 -0.65 0.00 0.00 174.74 173.39 1su6 n MET 523 N 6.45 1.74 0.00 2.88 2.81 0.12 -1.66 117.12 129.45 1su6 n MET 523 Ca 0.02 -1.35 0.00 0.00 -1.81 0.00 0.00 57.70 54.56 1su6 n MET 523 Cb 0.48 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 1su6 n MET 523 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1su6 n GLY 524 N 1.34 0.43 3.27 3.03 0.00 -1.24 -4.68 105.19 107.34 1su6 n GLY 524 Ca 0.13 -2.01 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 1su6 n GLY 524 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1su6 n SER 525 N 0.00 -0.42 0.14 1.61 3.41 -1.26 -0.69 113.62 116.42 1su6 n SER 525 Ca 0.00 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 1su6 n SER 525 Cb 0.00 -0.88 0.29 0.00 -0.26 0.00 0.00 64.21 63.35 1su6 n SER 525 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1su6 h VAL 527 N 0.09 1.09 0.00 0.00 -1.51 -1.93 -1.47 116.25 112.52 1su6 h VAL 527 Ca 0.01 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1su6 h VAL 527 Cb 0.76 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1su6 h VAL 527 CO 0.06 0.11 0.00 0.47 -1.23 0.00 0.00 177.57 176.97 1su6 n ASP 528 N -4.45 0.00 0.04 4.19 10.43 -0.67 -1.34 116.55 124.75 1su6 n ASP 528 Ca 0.00 -0.23 0.22 0.00 2.57 0.00 0.00 54.79 57.35 1su6 n ASP 528 Cb 0.12 -0.07 0.73 0.00 1.84 0.00 0.00 41.12 43.73 1su6 n ASP 528 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 1su6 h ASN 529 N 0.00 0.00 -0.05 -2.24 2.35 -1.15 0.11 115.58 114.60 1su6 h ASN 529 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1su6 h ASN 529 Cb 0.03 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1su6 h ASN 529 CO 0.00 0.00 0.04 0.77 -1.65 0.00 0.00 177.43 176.59 1su6 h SER 530 N 0.00 0.00 -0.64 5.81 4.64 -1.44 -1.05 113.55 120.87 1su6 h SER 530 Ca 0.23 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.47 1su6 h SER 530 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1su6 h SER 530 CO -0.00 0.00 0.06 0.03 -0.87 0.00 0.00 176.83 176.05 1su6 h ARG 531 N 0.00 1.09 -0.80 4.77 3.08 -1.01 -0.66 114.38 120.86 1su6 h ARG 531 Ca 0.02 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.73 1su6 h ARG 531 Cb 0.09 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1su6 h ARG 531 CO -0.00 1.03 0.38 0.00 -1.07 0.00 0.00 179.97 180.31 1su6 h ALA 532 N 1.04 1.03 -0.20 0.04 0.00 -1.19 -1.31 119.26 118.67 1su6 h ALA 532 Ca 0.19 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1su6 h ALA 532 Cb 0.50 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1su6 h ALA 532 CO 0.02 0.60 0.08 0.28 0.00 0.00 0.00 179.25 180.23 1su6 h VAL 533 N 1.14 0.96 -0.77 0.00 2.07 -0.92 -0.09 116.25 118.64 1su6 h VAL 533 Ca 0.27 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.79 1su6 h VAL 533 Cb 0.12 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1su6 h VAL 533 CO -0.03 0.03 0.46 0.00 0.02 0.00 0.00 177.57 178.04 1su6 h ALA 534 N 1.12 1.04 0.28 1.67 0.00 -0.60 0.25 119.26 123.03 1su6 h ALA 534 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1su6 h ALA 534 Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1su6 h ALA 534 CO -0.08 0.17 -0.14 1.25 0.00 0.00 0.00 179.25 180.45 1su6 h LEU 535 N 0.83 -0.32 -0.42 0.00 5.85 -0.87 -0.14 115.31 120.24 1su6 h LEU 535 Ca 0.34 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1su6 h LEU 535 Cb 0.18 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1su6 h LEU 535 CO -0.18 -0.07 0.26 0.58 -0.34 0.00 0.00 178.44 178.69 1su6 h VAL 536 N -0.57 1.07 -0.92 1.05 2.07 -0.71 -0.85 116.25 117.40 1su6 h VAL 536 Ca -0.04 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1su6 h VAL 536 Cb 0.41 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1su6 h VAL 536 CO 0.06 0.10 0.60 0.00 0.02 0.00 0.00 177.57 178.35 1su6 h ALA 537 N 1.17 1.41 -0.57 1.67 0.00 -0.50 0.14 119.26 122.58 1su6 h ALA 537 Ca 0.16 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1su6 h ALA 537 Cb -0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1su6 h ALA 537 CO -0.06 0.50 0.08 0.00 0.00 0.00 0.00 179.25 179.77 1su6 h ALA 538 N 1.46 0.77 -0.28 0.00 0.00 -0.25 -0.37 119.26 120.58 1su6 h ALA 538 Ca 0.36 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1su6 h ALA 538 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1su6 h ALA 538 CO -0.11 0.53 0.15 -0.07 0.00 0.00 0.00 179.25 179.75 1su6 h LEU 539 N 0.86 0.36 -0.23 0.00 3.38 -0.74 -0.59 115.31 118.36 1su6 h LEU 539 Ca 0.17 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1su6 h LEU 539 Cb 0.44 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1su6 h LEU 539 CO 0.01 0.36 0.02 0.00 0.09 0.00 0.00 178.44 178.93 1su6 h ALA 540 N 1.02 0.22 -0.81 1.53 0.00 -0.48 -1.75 119.26 118.98 1su6 h ALA 540 Ca 0.10 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1su6 h ALA 540 Cb 0.09 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1su6 h ALA 540 CO -0.01 -0.40 0.49 -0.91 0.00 0.00 0.00 179.25 178.41 1su6 h ASN 541 N 0.10 0.96 0.66 0.00 -0.26 -0.87 0.16 115.58 116.34 1su6 h ASN 541 Ca 0.10 -0.05 -0.13 0.00 -0.56 0.00 0.00 56.30 55.66 1su6 h ASN 541 Cb 0.12 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 1su6 h ASN 541 CO -0.16 0.74 -0.63 -0.09 -1.06 0.00 0.00 177.43 176.23 1su6 h ARG 542 N 1.11 0.00 0.00 0.81 9.65 -0.69 -2.59 114.38 122.67 1su6 h ARG 542 Ca 0.29 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.17 1su6 h ARG 542 Cb -0.05 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 1su6 h ARG 542 CO -0.05 0.63 -0.57 -0.07 2.80 0.00 0.00 179.97 182.71 1su6 h LEU 543 N 0.00 0.00 1.07 3.80 -0.00 -0.91 -3.48 115.31 115.78 1su6 h LEU 543 Ca -0.01 -0.08 -0.21 0.00 -0.00 0.00 0.00 57.88 57.59 1su6 h LEU 543 Cb 1.13 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.75 1su6 h LEU 543 CO 0.08 0.04 -0.23 0.61 -0.00 0.00 0.00 178.44 178.94 1su6 n GLY 544 N 1.23 0.44 3.53 0.83 0.00 0.50 -5.03 105.19 106.70 1su6 n GLY 544 Ca 0.02 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 1su6 n GLY 544 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1su6 s VAL 545 N -2.46 1.54 0.72 1.61 -7.23 -0.73 -5.03 120.40 108.83 1su6 s VAL 545 Ca 0.00 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 1su6 s VAL 545 Cb 0.00 -2.87 0.08 0.00 0.56 0.00 0.00 36.38 34.15 1su6 s VAL 545 CO 0.00 0.00 1.03 -0.62 -0.31 0.00 0.00 175.10 175.20 1su6 s ASP 546 N -3.60 4.65 0.40 4.85 3.68 -1.26 -4.34 116.67 121.04 1su6 s ASP 546 Ca 0.35 0.36 0.13 0.00 2.13 0.00 0.00 52.55 55.51 1su6 s ASP 546 Cb 0.09 -0.94 0.83 0.00 -1.45 0.00 0.00 42.92 41.45 1su6 s ASP 546 CO 0.16 -1.70 1.90 -0.07 0.13 0.00 0.00 175.17 175.59 1su6 h LEU 547 N -0.66 0.03 0.00 -1.34 4.07 -1.93 -2.20 115.31 113.28 1su6 h LEU 547 Ca -0.44 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.52 1su6 h LEU 547 Cb 1.30 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.04 1su6 h LEU 547 CO 0.56 0.31 0.00 -0.90 -1.08 0.00 0.00 178.44 177.33 1su6 n ASP 548 N -4.20 0.00 -0.40 -0.43 5.75 -1.26 -1.23 116.55 114.79 1su6 n ASP 548 Ca -0.02 -1.04 0.09 0.00 -0.01 0.00 0.00 54.79 53.82 1su6 n ASP 548 Cb 0.33 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.41 1su6 n ASP 548 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1su6 n ARG 549 N -0.85 1.44 -3.11 0.11 1.74 -0.83 -4.99 116.66 110.18 1su6 n ARG 549 Ca 0.13 -0.83 -0.35 0.00 -0.77 0.00 0.00 57.85 56.03 1su6 n ARG 549 Cb 0.06 -1.37 -0.06 0.00 -1.02 0.00 0.00 32.46 30.07 1su6 n ARG 549 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1su6 s LEU 550 N -2.28 4.28 -1.47 0.55 1.43 -0.36 -4.77 118.68 116.06 1su6 s LEU 550 Ca 0.15 1.38 -0.13 0.00 -1.03 0.00 0.00 54.13 54.50 1su6 s LEU 550 Cb 0.15 -3.70 0.03 0.00 0.03 0.00 0.00 46.19 42.71 1su6 s LEU 550 CO 0.50 -0.02 2.31 -0.81 0.23 0.00 0.00 176.35 178.56 1su6 n PRO 551 N 0.48 3.04 -4.35 1.29 -0.04 -1.26 -4.83 135.00 129.33 1su6 n PRO 551 Ca -0.01 -2.62 -0.23 0.00 -0.04 0.00 0.00 63.50 60.60 1su6 n PRO 551 Cb 0.52 -3.19 -0.17 0.00 -0.04 0.00 0.00 33.50 30.62 1su6 n PRO 551 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1su6 s VAL 552 N 2.80 0.91 0.26 0.52 1.01 -1.26 -1.18 120.40 123.46 1su6 s VAL 552 Ca 0.50 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1su6 s VAL 552 Cb 0.14 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 1su6 s VAL 552 CO -0.08 0.31 0.04 0.68 0.00 0.00 0.00 175.10 176.05 1su6 s VAL 553 N 0.89 0.96 0.10 2.92 -7.23 -0.11 -4.30 120.40 113.63 1su6 s VAL 553 Ca -0.11 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.10 1su6 s VAL 553 Cb -0.15 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 1su6 s VAL 553 CO 0.01 -0.16 -0.14 0.00 -0.31 0.00 0.00 175.10 174.50 1su6 s ALA 554 N -3.47 1.34 -0.14 1.32 0.00 -0.66 -1.19 121.76 118.96 1su6 s ALA 554 Ca 0.33 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 1su6 s ALA 554 Cb 0.07 -0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.17 1su6 s ALA 554 CO 0.12 0.12 0.13 0.45 0.00 0.00 0.00 175.76 176.58 1su6 s SER 555 N -2.14 1.66 -1.16 0.00 0.15 0.60 -0.18 113.70 112.63 1su6 s SER 555 Ca 0.04 -0.25 -0.07 0.00 0.70 0.00 0.00 55.95 56.36 1su6 s SER 555 Cb -0.07 0.00 0.25 0.00 -1.71 0.00 0.00 66.02 64.49 1su6 s SER 555 CO 0.02 -0.31 1.57 0.00 1.20 0.00 0.00 173.24 175.73 1su6 n ALA 556 N 5.30 5.04 0.25 5.45 0.00 0.68 -1.61 120.51 135.63 1su6 n ALA 556 Ca -0.06 -4.59 0.14 0.00 0.00 0.00 0.00 53.44 48.93 1su6 n ALA 556 Cb 0.49 -2.63 0.60 0.00 0.00 0.00 0.00 19.45 17.92 1su6 n ALA 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1su6 h ALA 557 N 5.80 1.04 -0.91 0.00 0.00 -1.79 -2.48 119.26 120.92 1su6 h ALA 557 Ca 0.27 -0.10 -0.37 0.00 0.00 0.00 0.00 54.91 54.71 1su6 h ALA 557 Cb 0.67 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.03 1su6 h ALA 557 CO 1.39 0.14 -1.10 0.39 0.00 0.00 0.00 179.25 180.07 1su6 n GLU 558 N -3.28 1.69 -1.71 0.00 1.02 -1.26 -3.65 120.64 113.46 1su6 n GLU 558 Ca 0.00 -3.51 -0.40 0.00 -0.02 0.00 0.00 57.16 53.23 1su6 n GLU 558 Cb 0.35 -1.51 0.03 0.00 -0.02 0.00 0.00 31.44 30.29 1su6 n GLU 558 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1su6 n ALA 559 N -0.28 1.30 0.10 0.62 0.00 -1.18 -2.89 120.51 118.19 1su6 n ALA 559 Ca 0.14 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1su6 n ALA 559 Cb 0.80 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1su6 n ALA 559 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1su6 n MET 560 N -0.46 0.00 -2.30 0.00 0.00 -1.26 -4.70 117.12 108.39 1su6 n MET 560 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.46 1su6 n MET 560 Cb 0.42 -0.16 -0.02 0.00 0.00 0.00 0.00 33.22 33.46 1su6 n MET 560 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1su6 s HIS 561 N -2.00 3.34 0.38 1.12 2.46 -1.26 -4.91 115.29 114.41 1su6 s HIS 561 Ca 0.00 1.48 0.14 0.00 0.47 0.00 0.00 55.06 57.14 1su6 s HIS 561 Cb 0.00 -2.85 0.96 0.00 -0.13 0.00 0.00 32.58 30.57 1su6 s HIS 561 CO 0.00 -0.56 1.83 0.93 -2.47 0.00 0.00 174.74 174.47 1su6 h GLU 562 N 0.79 0.52 -0.99 2.88 5.08 -1.96 0.31 114.58 121.21 1su6 h GLU 562 Ca -0.47 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 57.90 1su6 h GLU 562 Cb 1.19 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 1su6 h GLU 562 CO 0.60 0.34 0.65 0.87 -1.00 0.00 0.00 179.01 180.47 1su6 h LYS 563 N 0.54 1.19 -0.24 2.33 1.57 -1.83 -0.53 116.57 119.60 1su6 h LYS 563 Ca 0.51 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 59.12 1su6 h LYS 563 Cb 1.07 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1su6 h LYS 563 CO -0.24 0.79 -0.27 0.00 -0.57 0.00 0.00 179.45 179.16 1su6 h ALA 564 N 1.43 1.09 -0.67 3.86 0.00 -1.30 -0.28 119.26 123.40 1su6 h ALA 564 Ca 0.40 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1su6 h ALA 564 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1su6 h ALA 564 CO -0.13 0.56 0.12 0.28 0.00 0.00 0.00 179.25 180.08 1su6 h VAL 565 N 0.41 1.26 -0.15 0.00 2.07 -0.84 -0.94 116.25 118.06 1su6 h VAL 565 Ca 0.06 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1su6 h VAL 565 Cb 0.69 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1su6 h VAL 565 CO 0.05 0.38 0.08 0.00 0.02 0.00 0.00 177.57 178.10 1su6 h ALA 566 N 1.09 0.19 -0.47 1.67 0.00 -0.61 -1.41 119.26 119.73 1su6 h ALA 566 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1su6 h ALA 566 Cb 0.42 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1su6 h ALA 566 CO 0.01 -0.26 0.31 0.82 0.00 0.00 0.00 179.25 180.13 1su6 h ILE 567 N 0.13 1.13 -0.73 0.00 2.04 -0.93 -0.92 117.51 118.22 1su6 h ILE 567 Ca 0.05 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1su6 h ILE 567 Cb 0.10 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1su6 h ILE 567 CO -0.01 0.12 0.47 1.23 0.00 0.00 0.00 178.15 179.97 1su6 h GLY 568 N 0.64 1.05 1.40 5.37 0.00 -1.06 0.35 103.07 110.82 1su6 h GLY 568 Ca 0.17 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 1su6 h GLY 568 CO -0.04 0.32 -0.22 -0.84 0.00 0.00 0.00 176.54 175.76 1su6 h THR 569 N 0.93 1.27 0.00 4.70 2.02 -0.87 -1.92 112.91 119.03 1su6 h THR 569 Ca 0.29 -1.30 -0.10 0.00 0.77 0.00 0.00 66.41 66.06 1su6 h THR 569 Cb -0.02 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1su6 h THR 569 CO -0.10 0.43 -0.49 4.11 0.37 0.00 0.00 175.52 179.85 1su6 h TRP 570 N 0.61 0.00 -0.90 3.16 5.08 -0.54 -1.18 115.95 122.17 1su6 h TRP 570 Ca 0.09 0.00 0.07 0.00 1.08 0.00 0.00 58.89 60.12 1su6 h TRP 570 Cb 0.70 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.80 1su6 h TRP 570 CO 0.03 0.49 0.56 0.00 -1.28 0.00 0.00 178.44 178.24 1su6 h ALA 571 N 1.51 1.25 -0.36 0.11 0.00 -0.64 0.52 119.26 121.65 1su6 h ALA 571 Ca -0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1su6 h ALA 571 Cb 1.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1su6 h ALA 571 CO 0.06 0.31 -0.32 0.28 0.00 0.00 0.00 179.25 179.58 1su6 h VAL 572 N 1.01 1.28 -0.38 0.00 2.07 -1.00 -0.54 116.25 118.70 1su6 h VAL 572 Ca 0.40 -1.47 -0.13 0.00 0.82 0.00 0.00 66.70 66.31 1su6 h VAL 572 Cb 0.19 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1su6 h VAL 572 CO -0.18 0.49 -0.30 0.74 0.02 0.00 0.00 177.57 178.34 1su6 h THR 573 N 0.67 1.28 -0.00 2.57 2.02 -0.47 -2.51 112.91 116.46 1su6 h THR 573 Ca 0.07 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.81 1su6 h THR 573 Cb 0.86 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1su6 h THR 573 CO 0.08 0.48 -0.01 2.30 0.37 0.00 0.00 175.52 178.74 1su6 n ILE 574 N -4.08 0.00 0.00 3.11 -5.35 0.10 -4.83 119.36 108.31 1su6 n ILE 574 Ca -0.01 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1su6 n ILE 574 Cb 0.48 -0.44 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 1su6 n ILE 574 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1su6 n GLY 575 N 1.11 1.59 3.88 3.28 0.00 -0.95 -4.49 105.19 109.61 1su6 n GLY 575 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1su6 n GLY 575 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1su6 s LEU 576 N 0.00 4.39 0.05 0.99 1.43 -0.22 -3.64 118.68 121.67 1su6 s LEU 576 Ca 0.00 0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 53.29 1su6 s LEU 576 Cb 0.00 -2.30 -0.08 0.00 0.03 0.00 0.00 46.19 43.84 1su6 s LEU 576 CO 0.00 0.35 1.69 -2.84 0.23 0.00 0.00 176.35 175.79 1su6 s PRO 577 N -1.32 4.19 -0.19 1.29 0.02 -1.26 -2.49 135.00 135.23 1su6 s PRO 577 Ca 0.20 2.35 -0.01 0.00 0.02 0.00 0.00 61.00 63.56 1su6 s PRO 577 Cb -0.13 -3.72 0.05 0.00 0.02 0.00 0.00 34.50 30.73 1su6 s PRO 577 CO 0.09 -0.78 -0.02 0.99 -0.33 0.00 0.00 177.00 176.95 1su6 s THR 578 N 3.05 0.98 0.14 0.99 2.01 0.07 -1.65 115.64 121.23 1su6 s THR 578 Ca 0.76 -0.73 -0.23 0.00 0.31 0.00 0.00 61.69 61.80 1su6 s THR 578 Cb -0.39 -1.30 -0.08 0.00 0.01 0.00 0.00 72.50 70.74 1su6 s THR 578 CO 0.33 -0.05 0.70 -2.28 -0.69 0.00 0.00 174.62 172.63 1su6 s HIS 579 N 1.66 3.85 -0.05 4.92 2.46 0.75 -0.14 115.29 128.74 1su6 s HIS 579 Ca -0.01 1.49 0.03 0.00 0.47 0.00 0.00 55.06 57.03 1su6 s HIS 579 Cb -0.17 -2.66 0.01 0.00 -0.13 0.00 0.00 32.58 29.63 1su6 s HIS 579 CO -0.07 0.53 -0.13 -1.50 -2.47 0.00 0.00 174.74 171.09 1su6 s ILE 580 N -1.16 1.18 -1.43 0.89 2.07 -0.19 -0.23 121.20 122.33 1su6 s ILE 580 Ca 0.34 -0.54 0.16 0.00 -1.41 0.00 0.00 60.65 59.20 1su6 s ILE 580 Cb -0.21 -1.06 0.42 0.00 0.13 0.00 0.00 42.46 41.74 1su6 s ILE 580 CO 0.23 0.36 1.34 0.61 -1.91 0.00 0.00 174.94 175.57 1su6 n GLY 581 N 3.55 2.44 3.30 1.50 0.00 -0.94 -2.13 105.19 112.91 1su6 n GLY 581 Ca -0.21 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 1su6 n GLY 581 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1su6 s VAL 582 N -1.03 1.72 -0.11 1.61 1.01 -1.26 -4.51 120.40 117.82 1su6 s VAL 582 Ca 0.33 -1.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.34 1su6 s VAL 582 Cb 0.17 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1su6 s VAL 582 CO 0.23 -0.17 1.20 -0.76 0.00 0.00 0.00 175.10 175.60 1su6 s LEU 583 N -2.19 4.23 0.57 3.92 1.43 -1.26 -4.93 118.68 120.44 1su6 s LEU 583 Ca 0.09 1.72 -0.10 0.00 -1.03 0.00 0.00 54.13 54.81 1su6 s LEU 583 Cb -0.08 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 1su6 s LEU 583 CO 0.05 -0.64 0.96 -2.16 0.23 0.00 0.00 176.35 174.79 1su6 s PRO 584 N 2.73 3.64 -1.34 1.29 0.04 -1.26 -4.94 135.00 135.16 1su6 s PRO 584 Ca 0.54 0.65 -0.12 0.00 0.04 0.00 0.00 61.00 62.11 1su6 s PRO 584 Cb -0.22 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 1su6 s PRO 584 CO 0.18 -0.43 2.48 -0.35 0.04 0.00 0.00 177.00 178.92 1su6 n PRO 585 N -2.42 2.90 0.00 0.56 -0.04 -1.26 -4.12 135.00 130.63 1su6 n PRO 585 Ca 0.05 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1su6 n PRO 585 Cb 0.54 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 1su6 n PRO 585 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1su6 n ILE 586 N 4.38 0.00 0.32 0.52 -5.35 -1.22 -3.70 119.36 114.30 1su6 n ILE 586 Ca 0.62 -0.35 0.15 0.00 -0.27 0.00 0.00 62.75 62.90 1su6 n ILE 586 Cb 0.27 1.08 0.63 0.00 -1.74 0.00 0.00 39.64 39.88 1su6 n ILE 586 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1su6 h THR 587 N 0.08 0.00 0.00 7.28 1.35 -1.70 -1.66 112.91 118.26 1su6 h THR 587 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1su6 h THR 587 Cb 0.04 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1su6 h THR 587 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1su6 n GLY 588 N -0.01 -0.99 2.78 5.82 0.00 -0.01 -4.45 105.19 108.32 1su6 n GLY 588 Ca 0.01 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1su6 n GLY 588 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1su6 s SER 589 N -2.84 3.72 0.16 1.61 0.15 -0.62 -4.88 113.70 110.99 1su6 s SER 589 Ca 0.11 -1.36 -0.15 0.00 0.70 0.00 0.00 55.95 55.26 1su6 s SER 589 Cb 0.11 -0.87 0.04 0.00 -1.71 0.00 0.00 66.02 63.59 1su6 s SER 589 CO 0.29 -0.35 1.77 0.25 1.20 0.00 0.00 173.24 176.39 1su6 h LEU 590 N 8.09 0.59 -0.84 3.45 5.85 -1.80 -0.85 115.31 129.80 1su6 h LEU 590 Ca -0.15 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.59 1su6 h LEU 590 Cb 1.05 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.86 1su6 h LEU 590 CO 0.43 0.50 0.48 -0.65 -0.34 0.00 0.00 178.44 178.86 1su6 h PRO 591 N 0.64 0.76 -0.48 5.25 0.11 -1.95 0.11 132.00 136.45 1su6 h PRO 591 Ca 0.17 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 1su6 h PRO 591 Cb 0.04 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 1su6 h PRO 591 CO -0.03 0.50 -0.19 0.28 -0.21 0.00 0.00 178.00 178.36 1su6 h VAL 592 N 0.79 1.27 -0.62 3.15 2.07 -1.81 -1.49 116.25 119.60 1su6 h VAL 592 Ca 0.41 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.60 1su6 h VAL 592 Cb 0.40 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1su6 h VAL 592 CO -0.26 0.46 0.40 0.74 0.02 0.00 0.00 177.57 178.93 1su6 h THR 593 N 0.83 1.13 -0.52 2.57 2.02 -0.52 -1.12 112.91 117.31 1su6 h THR 593 Ca 0.12 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 1su6 h THR 593 Cb 0.75 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1su6 h THR 593 CO 0.06 0.15 0.05 -0.61 0.37 0.00 0.00 175.52 175.53 1su6 h GLN 594 N 0.81 0.84 -0.22 6.66 4.15 -0.57 0.73 115.11 127.51 1su6 h GLN 594 Ca 0.23 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1su6 h GLN 594 Cb -0.06 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 1su6 h GLN 594 CO -0.06 0.81 0.06 0.82 -1.93 0.00 0.00 178.83 178.53 1su6 h ILE 595 N 0.79 1.20 0.00 2.39 2.04 -0.68 -0.67 117.51 122.58 1su6 h ILE 595 Ca 0.16 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 1su6 h ILE 595 Cb 0.41 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1su6 h ILE 595 CO 0.01 0.20 -0.15 -0.07 0.00 0.00 0.00 178.15 178.14 1su6 h LEU 596 N 0.17 0.00 -0.63 1.44 3.38 -0.76 -0.71 115.31 118.20 1su6 h LEU 596 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1su6 h LEU 596 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1su6 h LEU 596 CO -0.00 0.15 -0.51 0.35 0.09 0.00 0.00 178.44 178.52 1su6 n THR 597 N -3.19 0.00 0.15 0.22 -2.24 0.21 -1.15 114.28 108.27 1su6 n THR 597 Ca 0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1su6 n THR 597 Cb 0.50 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 1su6 n THR 597 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1su6 n SER 598 N -0.50 -1.31 0.10 3.42 2.88 -0.33 -4.65 113.62 113.23 1su6 n SER 598 Ca 0.06 0.53 0.12 0.00 -1.33 0.00 0.00 58.87 58.25 1su6 n SER 598 Cb 0.34 1.38 0.46 0.00 -0.75 0.00 0.00 64.21 65.64 1su6 n SER 598 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1su6 n SER 599 N -3.31 0.60 0.29 -3.46 3.41 -0.79 -1.28 113.62 109.08 1su6 n SER 599 Ca 0.00 0.62 0.19 0.00 -0.26 0.00 0.00 58.87 59.42 1su6 n SER 599 Cb 0.00 -0.76 0.85 0.00 -0.26 0.00 0.00 64.21 64.04 1su6 n SER 599 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1su6 h VAL 600 N 0.00 0.00 -0.85 -3.33 3.04 -1.36 -0.33 116.25 113.42 1su6 h VAL 600 Ca 0.00 -0.33 0.18 0.00 -1.01 0.00 0.00 66.70 65.54 1su6 h VAL 600 Cb 0.43 1.31 -0.06 0.00 -2.01 0.00 0.00 31.29 30.97 1su6 h VAL 600 CO 0.00 0.00 0.56 0.11 -1.01 0.00 0.00 177.57 177.23 1su6 h LYS 601 N 0.00 0.40 0.00 4.17 1.57 -1.12 -0.44 116.57 121.14 1su6 h LYS 601 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1su6 h LYS 601 Cb 0.34 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1su6 h LYS 601 CO 0.00 0.26 0.00 -0.25 -0.57 0.00 0.00 179.45 178.89 1su6 n ASP 602 N -4.49 0.44 -0.12 0.86 8.00 -0.13 -0.97 116.55 120.13 1su6 n ASP 602 Ca 0.17 0.56 -0.23 0.00 0.71 0.00 0.00 54.79 56.00 1su6 n ASP 602 Cb 0.63 -0.67 -0.08 0.00 -0.02 0.00 0.00 41.12 40.99 1su6 n ASP 602 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1su6 n ILE 603 N -1.93 1.50 0.15 0.53 5.41 -0.32 -4.80 119.36 119.90 1su6 n ILE 603 Ca 0.05 -0.21 0.03 0.00 1.00 0.00 0.00 62.75 63.62 1su6 n ILE 603 Cb 0.34 -2.03 -0.04 0.00 -0.71 0.00 0.00 39.64 37.21 1su6 n ILE 603 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1su6 n THR 604 N -4.30 0.00 0.00 1.39 -2.24 -0.36 -4.93 114.28 103.84 1su6 n THR 604 Ca -0.41 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1su6 n THR 604 Cb 0.76 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1su6 n THR 604 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1su6 n GLY 605 N 1.57 3.06 3.58 3.38 0.00 -0.15 -4.14 105.19 112.50 1su6 n GLY 605 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1su6 n GLY 605 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1su6 n GLY 606 N -2.00 -0.26 3.63 -0.02 0.00 -1.21 -4.68 105.19 100.64 1su6 n GLY 606 Ca 0.00 -1.89 -0.05 0.00 0.00 0.00 0.00 46.02 44.08 1su6 n GLY 606 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1su6 s TYR 607 N -3.20 -0.16 0.40 1.61 1.13 -1.04 -3.10 117.35 112.99 1su6 s TYR 607 Ca 0.65 0.31 -0.23 0.00 -1.41 0.00 0.00 57.07 56.39 1su6 s TYR 607 Cb -0.03 0.47 -0.09 0.00 -1.10 0.00 0.00 41.96 41.21 1su6 s TYR 607 CO 0.44 -0.12 1.01 -0.06 -2.51 0.00 0.00 175.55 174.30 1su6 s PHE 608 N -0.71 3.32 -0.34 -3.49 0.08 -0.30 -0.76 117.98 115.78 1su6 s PHE 608 Ca 0.06 1.66 0.03 0.00 0.12 0.00 0.00 56.93 58.79 1su6 s PHE 608 Cb -0.02 -3.02 0.10 0.00 -0.57 0.00 0.00 43.02 39.51 1su6 s PHE 608 CO -0.07 -0.38 0.05 0.42 -0.10 0.00 0.00 175.22 175.14 1su6 s ILE 609 N -1.80 2.42 -0.40 0.64 1.01 0.81 -4.40 121.20 119.46 1su6 s ILE 609 Ca 0.58 -2.21 -0.21 0.00 0.00 0.00 0.00 60.65 58.81 1su6 s ILE 609 Cb -0.18 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.59 1su6 s ILE 609 CO 0.23 -0.54 0.68 -0.69 0.00 0.00 0.00 174.94 174.62 1su6 s VAL 610 N 0.96 4.80 -0.21 2.92 1.01 -1.26 -1.03 120.40 127.60 1su6 s VAL 610 Ca 0.08 0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.46 1su6 s VAL 610 Cb -0.20 -4.18 0.11 0.00 0.00 0.00 0.00 36.38 32.11 1su6 s VAL 610 CO -0.07 -0.49 0.37 -0.70 0.00 0.00 0.00 175.10 174.20 1su6 s GLU 611 N 2.90 0.30 0.31 2.72 2.56 -0.90 -4.99 118.70 121.60 1su6 s GLU 611 Ca 0.26 0.73 0.23 0.00 0.00 0.00 0.00 54.97 56.19 1su6 s GLU 611 Cb -0.14 -0.15 0.24 0.00 2.00 0.00 0.00 34.13 36.08 1su6 s GLU 611 CO 0.18 -0.45 1.38 -0.07 -0.56 0.00 0.00 175.26 175.75 1su6 h LEU 612 N 8.20 0.00 -8.81 2.70 3.38 -1.82 -3.38 115.31 115.58 1su6 h LEU 612 Ca -0.17 -0.02 -0.61 0.00 0.09 0.00 0.00 57.88 57.17 1su6 h LEU 612 Cb 1.13 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.77 1su6 h LEU 612 CO 0.20 0.01 0.38 -0.62 0.09 0.00 0.00 178.44 178.50 1su6 s ASP 613 N -5.61 6.56 0.25 -0.43 2.15 -1.26 -4.96 116.67 113.37 1su6 s ASP 613 Ca 0.04 0.38 -0.04 0.00 0.43 0.00 0.00 52.55 53.36 1su6 s ASP 613 Cb 0.08 -2.40 0.28 0.00 -0.30 0.00 0.00 42.92 40.58 1su6 s ASP 613 CO 0.71 -0.73 1.79 1.55 -0.17 0.00 0.00 175.17 178.32 1su6 h PRO 614 N 8.46 0.99 -0.65 4.34 0.13 -1.94 0.19 132.00 143.53 1su6 h PRO 614 Ca -0.25 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1su6 h PRO 614 Cb 1.09 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.05 1su6 h PRO 614 CO 0.91 0.86 0.33 0.93 -0.23 0.00 0.00 178.00 180.80 1su6 h GLU 615 N 0.95 0.92 -0.90 0.86 5.08 -1.93 -0.28 114.58 119.28 1su6 h GLU 615 Ca 0.21 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1su6 h GLU 615 Cb 0.30 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1su6 h GLU 615 CO -0.00 0.72 0.49 1.15 -1.00 0.00 0.00 179.01 180.36 1su6 h THR 616 N 0.89 1.26 -0.87 1.13 2.02 -1.86 -1.24 112.91 114.23 1su6 h THR 616 Ca 0.22 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 1su6 h THR 616 Cb 0.09 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.51 1su6 h THR 616 CO -0.03 0.29 0.49 0.00 0.37 0.00 0.00 175.52 176.64 1su6 h ALA 617 N 1.28 1.12 -0.65 6.16 0.00 0.01 -0.65 119.26 126.53 1su6 h ALA 617 Ca 0.32 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1su6 h ALA 617 Cb 0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1su6 h ALA 617 CO -0.05 0.62 0.20 0.00 0.00 0.00 0.00 179.25 180.02 1su6 h ALA 618 N 1.26 0.85 -0.50 0.00 0.00 -0.64 0.11 119.26 120.34 1su6 h ALA 618 Ca 0.31 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1su6 h ALA 618 Cb 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1su6 h ALA 618 CO -0.05 0.53 0.30 -0.44 0.00 0.00 0.00 179.25 179.59 1su6 h ASP 619 N 0.94 0.49 -0.07 0.00 3.32 -0.51 0.39 116.42 120.98 1su6 h ASP 619 Ca 0.21 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 1su6 h ASP 619 Cb 0.30 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1su6 h ASP 619 CO -0.01 0.35 -0.20 0.11 -1.72 0.00 0.00 179.24 177.78 1su6 h LYS 620 N 0.60 0.46 -0.16 3.56 1.57 -0.56 -0.32 116.57 121.72 1su6 h LYS 620 Ca 0.20 -0.15 -0.21 0.00 -1.87 0.00 0.00 60.65 58.61 1su6 h LYS 620 Cb 0.01 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.29 1su6 h LYS 620 CO -0.08 0.64 -0.74 -0.07 -0.57 0.00 0.00 179.45 178.62 1su6 h LEU 621 N 0.41 0.89 -0.92 2.94 3.38 -0.42 -0.70 115.31 120.90 1su6 h LEU 621 Ca 0.07 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1su6 h LEU 621 Cb 0.58 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1su6 h LEU 621 CO 0.04 1.36 0.57 -0.07 0.09 0.00 0.00 178.44 180.43 1su6 h LEU 622 N 0.53 1.09 -0.81 1.67 3.38 -0.62 -1.16 115.31 119.39 1su6 h LEU 622 Ca -0.04 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1su6 h LEU 622 Cb 1.36 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1su6 h LEU 622 CO 0.15 0.83 0.05 0.00 0.09 0.00 0.00 178.44 179.55 1su6 h ALA 623 N 1.31 1.01 -0.64 1.53 0.00 -0.87 0.66 119.26 122.26 1su6 h ALA 623 Ca 0.33 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1su6 h ALA 623 Cb -0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1su6 h ALA 623 CO -0.06 0.62 0.15 0.00 0.00 0.00 0.00 179.25 179.96 1su6 h ALA 624 N 1.17 0.85 -0.26 0.00 0.00 -0.78 -0.02 119.26 120.21 1su6 h ALA 624 Ca 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1su6 h ALA 624 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1su6 h ALA 624 CO 0.02 0.56 0.13 0.82 0.00 0.00 0.00 179.25 180.78 1su6 h ILE 625 N 0.95 1.14 -0.11 0.00 2.04 -0.87 -2.69 117.51 117.97 1su6 h ILE 625 Ca 0.20 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 1su6 h ILE 625 Cb 0.36 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1su6 h ILE 625 CO 0.00 0.14 -0.44 0.78 0.00 0.00 0.00 178.15 178.63 1su6 h ASN 626 N 0.30 0.27 -0.61 1.72 2.35 -0.66 -1.51 115.58 117.43 1su6 h ASN 626 Ca 0.09 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1su6 h ASN 626 Cb 0.10 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1su6 h ASN 626 CO -0.01 0.68 0.33 -0.33 -1.65 0.00 0.00 177.43 176.45 1su6 h GLU 627 N 0.21 0.88 -0.28 0.81 5.08 -0.90 0.40 114.58 120.77 1su6 h GLU 627 Ca 0.02 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 58.11 1su6 h GLU 627 Cb 0.86 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1su6 h GLU 627 CO 0.07 0.66 -0.49 0.00 -1.00 0.00 0.00 179.01 178.24 1su6 h ARG 628 N 0.89 0.79 -0.45 2.33 2.47 -1.02 -1.44 114.38 117.94 1su6 h ARG 628 Ca 0.22 -0.47 0.07 0.00 -1.26 0.00 0.00 59.98 58.54 1su6 h ARG 628 Cb 0.04 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.35 1su6 h ARG 628 CO -0.03 1.10 0.13 0.00 0.56 0.00 0.00 179.97 181.72 1su6 h ARG 629 N 0.62 0.27 -0.68 0.04 3.08 -0.82 -1.36 114.38 115.53 1su6 h ARG 629 Ca 0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1su6 h ARG 629 Cb 1.07 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 1su6 h ARG 629 CO 0.11 0.18 0.40 0.00 -1.07 0.00 0.00 179.97 179.59 1su6 h ALA 630 N 1.32 0.87 0.00 0.04 0.00 -0.60 -0.10 119.26 120.79 1su6 h ALA 630 Ca 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1su6 h ALA 630 Cb 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1su6 h ALA 630 CO -0.25 0.35 -0.06 0.78 0.00 0.00 0.00 179.25 180.07 1su6 h GLY 631 N 0.92 0.00 -0.79 0.00 0.00 -0.58 -1.42 103.07 101.19 1su6 h GLY 631 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1su6 h GLY 631 CO -0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.54 1su6 n LEU 632 N -3.24 1.80 -0.19 3.11 4.77 -0.58 -4.94 117.00 117.74 1su6 n LEU 632 Ca -0.00 -0.64 -0.02 0.00 -0.03 0.00 0.00 56.01 55.31 1su6 n LEU 632 Cb 0.28 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1su6 n LEU 632 CO 0.28 0.32 -0.02 0.61 -1.33 0.00 0.00 177.39 177.25 1su6 n GLY 633 N 1.20 0.41 3.91 -0.72 0.00 -0.54 -5.06 105.19 104.40 1su6 n GLY 633 Ca 0.18 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 1su6 n GLY 633 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1su6 s LEU 634 N -0.51 4.14 0.70 0.99 1.43 -0.11 -5.00 118.68 120.32 1su6 s LEU 634 Ca 0.00 0.64 -0.13 0.00 -1.03 0.00 0.00 54.13 53.60 1su6 s LEU 634 Cb 0.00 -3.42 0.02 0.00 0.03 0.00 0.00 46.19 42.82 1su6 s LEU 634 CO 0.00 -0.11 1.09 -2.16 0.23 0.00 0.00 176.35 175.40 1su6 s PRO 635 N -3.30 2.67 0.00 1.29 0.05 -1.26 -4.12 135.00 130.33 1su6 s PRO 635 Ca 0.42 1.25 0.00 0.00 0.05 0.00 0.00 61.00 62.73 1su6 s PRO 635 Cb -0.11 -1.94 0.00 0.00 0.05 0.00 0.00 34.50 32.50 1su6 s PRO 635 CO 0.28 -1.33 0.00 -2.67 0.05 0.00 0.00 177.00 173.33