#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1su7 n ASN 5 N 0.00 0.00 0.19 1.08 4.13 -1.26 -0.74 115.26 118.67 1su7 n ASN 5 Ca 0.00 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.39 1su7 n ASN 5 Cb 0.00 -0.29 0.34 0.00 -1.54 0.00 0.00 39.78 38.30 1su7 n ASN 5 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1su7 h LEU 6 N 0.00 0.00 0.00 3.41 6.46 -2.02 -3.34 115.31 119.82 1su7 h LEU 6 Ca 0.00 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.47 1su7 h LEU 6 Cb 0.20 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 1su7 h LEU 6 CO 0.00 0.00 -1.60 0.29 -0.62 0.00 0.00 178.44 176.51 1su7 n LYS 7 N -2.80 0.57 -3.87 1.25 5.02 0.08 -4.33 118.16 114.09 1su7 n LYS 7 Ca 0.04 0.49 -0.12 0.00 -2.02 0.00 0.00 58.31 56.70 1su7 n LYS 7 Cb 0.44 -1.67 -0.13 0.00 -0.02 0.00 0.00 35.03 33.65 1su7 n LYS 7 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1su7 s SER 8 N -7.00 -0.02 0.00 4.39 0.15 -0.51 -0.97 113.70 109.73 1su7 s SER 8 Ca -0.31 0.02 0.30 0.00 0.70 0.00 0.00 55.95 56.65 1su7 s SER 8 Cb 0.08 0.15 1.38 0.00 -1.71 0.00 0.00 66.02 65.92 1su7 s SER 8 CO 0.55 -0.10 1.94 0.35 1.20 0.00 0.00 173.24 177.18 1su7 n THR 9 N 2.68 0.00 -2.91 6.45 -2.24 -0.55 -4.01 114.28 113.70 1su7 n THR 9 Ca -0.15 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 1su7 n THR 9 Cb 0.58 -0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 1su7 n THR 9 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1su7 s ASP 10 N -2.21 6.81 0.44 3.42 -1.08 -1.26 -4.94 116.67 117.84 1su7 s ASP 10 Ca 0.37 1.01 0.19 0.00 -0.52 0.00 0.00 52.55 53.60 1su7 s ASP 10 Cb 0.21 -2.43 1.02 0.00 -1.46 0.00 0.00 42.92 40.26 1su7 s ASP 10 CO 0.41 -0.50 1.93 0.03 0.52 0.00 0.00 175.17 177.55 1su7 h ARG 11 N 7.69 0.00 -0.30 4.34 3.08 -1.95 0.06 114.38 127.30 1su7 h ARG 11 Ca -0.23 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.63 1su7 h ARG 11 Cb 1.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 1su7 h ARG 11 CO 0.86 0.25 -0.53 0.00 -1.07 0.00 0.00 179.97 179.48 1su7 h ALA 12 N 1.75 0.48 -0.54 0.04 0.00 -1.93 -1.60 119.26 117.47 1su7 h ALA 12 Ca -0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1su7 h ALA 12 Cb 0.52 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1su7 h ALA 12 CO 0.03 0.68 0.26 0.28 0.00 0.00 0.00 179.25 180.50 1su7 h VAL 13 N 0.68 1.20 -0.82 0.00 2.07 -1.80 -1.60 116.25 115.98 1su7 h VAL 13 Ca 0.02 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.04 1su7 h VAL 13 Cb 1.14 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 1su7 h VAL 13 CO 0.12 0.22 0.51 1.56 0.02 0.00 0.00 177.57 180.00 1su7 h GLN 14 N 0.72 0.91 -0.78 1.57 4.20 -0.84 0.23 115.11 121.12 1su7 h GLN 14 Ca 0.18 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 1su7 h GLN 14 Cb 0.11 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1su7 h GLN 14 CO -0.02 0.60 0.29 0.37 -0.67 0.00 0.00 178.83 179.40 1su7 h GLN 15 N 0.94 1.18 -0.01 1.46 4.15 -0.86 -1.49 115.11 120.48 1su7 h GLN 15 Ca 0.35 -0.23 -0.11 0.00 0.77 0.00 0.00 58.65 59.43 1su7 h GLN 15 Cb 0.13 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 1su7 h GLN 15 CO -0.16 0.97 -0.53 0.52 -1.93 0.00 0.00 178.83 177.70 1su7 h MET 16 N 1.14 0.03 -0.47 1.69 2.86 -0.64 -1.89 114.93 117.65 1su7 h MET 16 Ca 0.26 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.81 1su7 h MET 16 Cb 0.24 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1su7 h MET 16 CO -0.02 0.55 0.02 -0.07 1.06 0.00 0.00 176.91 178.45 1su7 h LEU 17 N 0.02 0.73 -0.74 1.22 3.38 0.03 0.24 115.31 120.19 1su7 h LEU 17 Ca -0.00 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1su7 h LEU 17 Cb 0.94 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1su7 h LEU 17 CO 0.07 0.78 0.21 0.44 0.09 0.00 0.00 178.44 180.03 1su7 h ASP 18 N 0.72 1.10 -0.41 -0.43 3.32 -0.93 0.18 116.42 119.97 1su7 h ASP 18 Ca 0.15 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1su7 h ASP 18 Cb 0.41 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1su7 h ASP 18 CO 0.01 1.03 -0.08 0.50 -1.72 0.00 0.00 179.24 178.98 1su7 h LYS 19 N 1.11 0.77 -0.78 3.56 3.64 -0.72 -0.97 116.57 123.18 1su7 h LYS 19 Ca 0.23 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1su7 h LYS 19 Cb 0.34 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1su7 h LYS 19 CO -0.00 0.89 0.39 0.00 -2.27 0.00 0.00 179.45 178.46 1su7 h ALA 20 N 0.85 1.00 -0.30 5.00 0.00 -0.34 -1.10 119.26 124.38 1su7 h ALA 20 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1su7 h ALA 20 Cb 0.60 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1su7 h ALA 20 CO 0.04 0.55 0.14 -0.22 0.00 0.00 0.00 179.25 179.75 1su7 h LYS 21 N 1.09 0.43 0.00 0.00 3.64 -0.71 0.03 116.57 121.06 1su7 h LYS 21 Ca 0.27 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1su7 h LYS 21 Cb 0.09 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1su7 h LYS 21 CO -0.04 0.42 0.00 0.07 -2.27 0.00 0.00 179.45 177.63 1su7 h ARG 22 N 0.34 0.00 -0.01 1.90 0.11 -0.77 -2.55 114.38 113.40 1su7 h ARG 22 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 1su7 h ARG 22 Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 1su7 h ARG 22 CO -0.01 0.00 -0.13 0.39 0.10 0.00 0.00 179.97 180.32 1su7 n GLU 23 N -2.82 1.33 -2.15 0.08 1.02 -0.45 -4.95 120.64 112.69 1su7 n GLU 23 Ca 0.03 -0.82 -0.08 0.00 -0.02 0.00 0.00 57.16 56.27 1su7 n GLU 23 Cb 0.41 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1su7 n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1su7 n GLY 24 N 1.27 0.04 3.60 0.62 0.00 -0.17 -5.00 105.19 105.55 1su7 n GLY 24 Ca 0.15 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1su7 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1su7 s ILE 25 N -2.42 5.15 0.20 -0.61 1.01 -0.24 -5.03 121.20 119.27 1su7 s ILE 25 Ca 0.00 0.58 -0.30 0.00 0.00 0.00 0.00 60.65 60.93 1su7 s ILE 25 Cb 0.00 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.65 1su7 s ILE 25 CO 0.00 0.12 1.21 -1.58 0.00 0.00 0.00 174.94 174.69 1su7 s GLN 26 N 2.12 4.48 0.45 2.79 0.74 -1.26 -4.53 119.66 124.45 1su7 s GLN 26 Ca 0.16 1.91 0.06 0.00 0.05 0.00 0.00 55.36 57.54 1su7 s GLN 26 Cb -0.16 -3.22 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 1su7 s GLN 26 CO 0.10 -0.09 0.17 0.95 -0.55 0.00 0.00 175.29 175.88 1su7 s THR 27 N -0.19 2.00 0.34 -0.34 -4.23 -1.26 -4.99 115.64 106.97 1su7 s THR 27 Ca 0.52 -1.74 0.07 0.00 -1.18 0.00 0.00 61.69 59.37 1su7 s THR 27 Cb -0.33 -2.73 0.31 0.00 1.34 0.00 0.00 72.50 71.09 1su7 s THR 27 CO 0.38 0.00 1.86 1.62 -0.54 0.00 0.00 174.62 177.95 1su7 h VAL 28 N 1.33 0.86 -0.27 2.29 3.04 -1.96 0.15 116.25 121.70 1su7 h VAL 28 Ca -0.42 -0.26 -0.11 0.00 -1.01 0.00 0.00 66.70 64.90 1su7 h VAL 28 Cb 1.27 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 1su7 h VAL 28 CO 0.70 0.14 -0.30 -0.50 -1.01 0.00 0.00 177.57 176.60 1su7 h TRP 29 N 0.76 0.63 -0.51 3.17 6.55 -1.95 0.03 115.95 124.62 1su7 h TRP 29 Ca 0.45 -0.15 -0.13 0.00 0.95 0.00 0.00 58.89 60.02 1su7 h TRP 29 Cb 0.66 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.80 1su7 h TRP 29 CO -0.00 0.79 -0.17 -0.44 -1.05 0.00 0.00 178.44 177.56 1su7 h ASP 30 N 0.47 1.04 0.08 -3.49 3.32 -1.57 -0.57 116.42 115.70 1su7 h ASP 30 Ca 0.06 -0.37 -0.10 0.00 0.02 0.00 0.00 57.03 56.64 1su7 h ASP 30 Cb 0.76 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1su7 h ASP 30 CO 0.06 1.18 -0.32 0.03 -1.72 0.00 0.00 179.24 178.46 1su7 h ARG 31 N 0.89 0.36 -0.20 3.56 3.08 -0.74 -1.16 114.38 120.18 1su7 h ARG 31 Ca 0.12 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1su7 h ARG 31 Cb 0.75 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1su7 h ARG 31 CO 0.06 0.65 0.08 -0.92 -1.07 0.00 0.00 179.97 178.77 1su7 h TYR 32 N 0.31 0.30 -0.89 3.04 3.20 -0.82 -2.38 116.97 119.73 1su7 h TYR 32 Ca 0.04 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.95 1su7 h TYR 32 Cb 0.73 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.85 1su7 h TYR 32 CO 0.02 0.34 0.58 1.49 -1.64 0.00 0.00 178.16 178.95 1su7 h GLU 33 N 0.16 0.98 0.00 1.82 4.57 -0.75 -0.32 114.58 121.04 1su7 h GLU 33 Ca 0.07 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1su7 h GLU 33 Cb 0.17 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1su7 h GLU 33 CO -0.01 0.65 0.00 0.00 -1.18 0.00 0.00 179.01 178.47 1su7 h ALA 34 N 1.52 1.00 0.00 2.92 0.00 -0.97 -2.47 119.26 121.26 1su7 h ALA 34 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1su7 h ALA 34 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1su7 h ALA 34 CO -0.14 0.00 -0.77 -0.12 0.00 0.00 0.00 179.25 178.22 1su7 n MET 35 N -2.56 0.27 -2.72 0.00 0.00 -0.15 -4.92 117.12 107.04 1su7 n MET 35 Ca 0.01 0.05 -0.36 0.00 -0.00 0.00 0.00 57.70 57.39 1su7 n MET 35 Cb 0.22 -1.64 -0.06 0.00 0.00 0.00 0.00 33.22 31.74 1su7 n MET 35 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1su7 s LYS 36 N -3.17 4.41 0.27 2.12 1.02 -0.93 -3.40 119.74 120.06 1su7 s LYS 36 Ca 0.06 1.35 -0.27 0.00 0.02 0.00 0.00 55.97 57.13 1su7 s LYS 36 Cb 0.14 -2.63 -0.09 0.00 -0.52 0.00 0.00 37.83 34.73 1su7 s LYS 36 CO 0.75 0.11 0.90 -1.25 -0.92 0.00 0.00 175.35 174.95 1su7 s PRO 37 N -2.35 4.65 0.64 -1.68 0.04 -1.26 -5.06 135.00 129.97 1su7 s PRO 37 Ca 0.54 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 1su7 s PRO 37 Cb -0.18 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 1su7 s PRO 37 CO 0.23 0.41 1.04 -0.65 0.04 0.00 0.00 177.00 178.07 1su7 s GLN 38 N -1.64 3.46 0.07 4.56 -0.21 -1.22 -4.96 119.66 119.72 1su7 s GLN 38 Ca 0.45 0.75 -0.31 0.00 0.02 0.00 0.00 55.36 56.27 1su7 s GLN 38 Cb -0.21 -2.06 -0.08 0.00 1.00 0.00 0.00 33.01 31.65 1su7 s GLN 38 CO 0.27 -0.68 1.62 0.00 -2.12 0.00 0.00 175.29 174.38 1su7 h GLY 40 N 8.41 0.00 0.71 0.00 0.00 -1.98 -1.40 103.07 108.82 1su7 h GLY 40 Ca -0.42 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1su7 h GLY 40 CO 0.93 0.00 -0.01 0.74 0.00 0.00 0.00 176.54 178.20 1su7 h PHE 41 N 0.00 0.13 -0.64 5.60 0.04 -1.90 -2.06 116.94 118.12 1su7 h PHE 41 Ca -0.00 -0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.66 1su7 h PHE 41 Cb 0.91 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 39.00 1su7 h PHE 41 CO 0.00 0.42 0.08 0.78 -0.60 0.00 0.00 178.31 178.99 1su7 h GLY 42 N -0.19 1.16 1.39 -1.45 0.00 -1.81 0.12 103.07 102.29 1su7 h GLY 42 Ca 0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 1su7 h GLY 42 CO 0.00 0.72 0.34 0.83 0.00 0.00 0.00 176.54 178.44 1su7 h GLU 43 N 1.00 0.81 -0.00 4.80 5.08 -1.18 -2.00 114.58 123.08 1su7 h GLU 43 Ca 0.19 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1su7 h GLU 43 Cb 0.46 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1su7 h GLU 43 CO 0.02 0.59 -0.34 0.25 -1.00 0.00 0.00 179.01 178.53 1su7 n THR 44 N -4.40 0.00 -0.51 1.13 -2.24 -0.78 -4.15 114.28 103.33 1su7 n THR 44 Ca 0.06 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1su7 n THR 44 Cb 0.09 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1su7 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1su7 n GLY 45 N 1.41 0.82 2.51 3.38 0.00 -0.60 -0.33 105.19 112.37 1su7 n GLY 45 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1su7 n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1su7 n LEU 46 N 0.00 7.70 -3.78 0.99 4.77 0.33 -4.08 117.00 122.94 1su7 n LEU 46 Ca 0.00 -4.80 -0.13 0.00 -0.03 0.00 0.00 56.01 51.05 1su7 n LEU 46 Cb 0.00 -1.31 -0.11 0.00 -2.33 0.00 0.00 43.42 39.66 1su7 n LEU 46 CO 0.00 2.00 -0.06 0.00 -1.33 0.00 0.00 177.39 178.00 1su7 n ARG 49 N 3.64 1.40 0.00 0.00 1.74 -1.26 -0.45 116.66 121.73 1su7 n ARG 49 Ca -0.21 -3.05 0.14 0.00 -0.77 0.00 0.00 57.85 53.95 1su7 n ARG 49 Cb 0.53 -1.23 0.73 0.00 -1.02 0.00 0.00 32.46 31.48 1su7 n ARG 49 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1su7 n HIS 50 N -0.54 0.00 -4.07 -1.55 8.25 -1.26 -4.81 115.22 111.24 1su7 n HIS 50 Ca 0.18 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.51 1su7 n HIS 50 Cb 0.87 -0.21 -0.05 0.00 1.12 0.00 0.00 29.99 31.72 1su7 n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1su7 n LEU 52 N -0.47 0.75 0.11 0.00 4.77 -1.26 -1.86 117.00 119.04 1su7 n LEU 52 Ca 0.00 -0.34 0.12 0.00 -0.03 0.00 0.00 56.01 55.77 1su7 n LEU 52 Cb 0.62 -0.07 0.25 0.00 -2.33 0.00 0.00 43.42 41.90 1su7 n LEU 52 CO 0.28 0.17 0.64 1.56 -1.33 0.00 0.00 177.39 178.70 1su7 h GLN 53 N 0.91 0.00 0.00 3.23 4.20 -1.97 -3.46 115.11 118.02 1su7 h GLN 53 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1su7 h GLN 53 Cb 0.20 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.05 1su7 h GLN 53 CO 0.00 0.00 0.15 0.41 -0.67 0.00 0.00 178.83 178.72 1su7 n GLY 54 N 1.27 -1.41 3.76 3.46 0.00 -0.77 -4.78 105.19 106.71 1su7 n GLY 54 Ca 0.04 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.00 1su7 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1su7 s PRO 55 N -4.14 4.50 0.00 1.61 0.04 -1.26 -5.03 135.00 130.72 1su7 s PRO 55 Ca 0.30 1.78 0.01 0.00 0.04 0.00 0.00 61.00 63.12 1su7 s PRO 55 Cb -0.01 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 1su7 s PRO 55 CO 0.21 0.09 0.05 0.00 0.04 0.00 0.00 177.00 177.38 1su7 s ARG 57 N -1.69 0.88 -0.06 0.00 1.70 -1.26 -0.33 118.95 118.19 1su7 s ARG 57 Ca 0.22 -1.28 0.01 0.00 -0.47 0.00 0.00 55.73 54.20 1su7 s ARG 57 Cb -0.12 0.27 0.02 0.00 -0.57 0.00 0.00 34.95 34.55 1su7 s ARG 57 CO 0.13 -0.25 -0.06 0.42 -1.08 0.00 0.00 175.30 174.45 1su7 s ILE 58 N -3.98 0.71 0.18 4.99 1.01 -0.82 -4.69 121.20 118.61 1su7 s ILE 58 Ca 0.16 -0.21 -0.32 0.00 0.00 0.00 0.00 60.65 60.28 1su7 s ILE 58 Cb 0.07 -0.71 -0.11 0.00 0.01 0.00 0.00 42.46 41.71 1su7 s ILE 58 CO -0.03 0.27 1.64 0.20 0.00 0.00 0.00 174.94 177.02 1su7 s ASN 59 N 0.95 6.50 0.26 3.58 0.01 -0.36 -4.80 114.94 121.07 1su7 s ASN 59 Ca -0.10 2.73 -0.02 0.00 -0.71 0.00 0.00 52.86 54.75 1su7 s ASN 59 Cb -0.15 -2.60 0.51 0.00 0.41 0.00 0.00 41.25 39.43 1su7 s ASN 59 CO 0.00 -0.89 1.74 -0.65 -1.51 0.00 0.00 177.10 175.79 1su7 h PRO 60 N 6.80 0.49 -3.90 -0.60 0.11 -1.92 -3.43 132.00 129.54 1su7 h PRO 60 Ca -0.43 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 1su7 h PRO 60 Cb 1.20 -0.11 -0.19 0.00 0.11 0.00 0.00 31.00 32.02 1su7 h PRO 60 CO 0.93 0.32 -0.61 -0.06 -0.21 0.00 0.00 178.00 178.38 1su7 s PHE 61 N -5.99 0.26 0.00 0.65 0.08 -1.26 -5.09 117.98 106.63 1su7 s PHE 61 Ca -0.12 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.36 1su7 s PHE 61 Cb 0.21 -0.19 0.00 0.00 -0.57 0.00 0.00 43.02 42.48 1su7 s PHE 61 CO 0.77 -0.30 0.00 0.41 -0.10 0.00 0.00 175.22 176.00 1su7 n GLY 62 N 1.02 0.37 0.00 4.36 0.00 -1.26 -5.04 105.19 104.65 1su7 n GLY 62 Ca -0.20 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1su7 n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1su7 n ASP 63 N 0.00 0.64 -4.74 1.61 8.00 -1.26 -5.05 116.55 115.75 1su7 n ASP 63 Ca 0.00 -0.35 -0.34 0.00 0.71 0.00 0.00 54.79 54.81 1su7 n ASP 63 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 1su7 n ASP 63 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1su7 s GLU 64 N 0.84 2.42 0.29 -1.24 2.02 -1.26 -4.38 118.70 117.39 1su7 s GLU 64 Ca 0.00 1.67 -0.29 0.00 0.02 0.00 0.00 54.97 56.37 1su7 s GLU 64 Cb 0.00 -1.88 -0.09 0.00 0.10 0.00 0.00 34.13 32.26 1su7 s GLU 64 CO 0.00 -1.60 1.08 -1.25 0.02 0.00 0.00 175.26 173.51 1su7 s PRO 65 N -3.88 4.58 -0.01 0.39 0.04 -1.26 -4.89 135.00 129.97 1su7 s PRO 65 Ca 0.73 1.74 0.08 0.00 0.04 0.00 0.00 61.00 63.59 1su7 s PRO 65 Cb -0.27 -3.10 -0.12 0.00 0.04 0.00 0.00 34.50 31.06 1su7 s PRO 65 CO 0.43 0.18 0.25 1.63 0.04 0.00 0.00 177.00 179.53 1su7 n LYS 66 N 1.02 1.82 -3.73 4.56 5.02 -1.26 -1.22 118.16 124.37 1su7 n LYS 66 Ca -0.00 -0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.10 1su7 n LYS 66 Cb 0.46 -1.08 -0.08 0.00 -0.02 0.00 0.00 35.03 34.30 1su7 n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1su7 s VAL 67 N -2.27 0.05 0.90 -0.18 0.11 -1.26 -4.58 120.40 113.16 1su7 s VAL 67 Ca -0.01 -0.41 -0.11 0.00 -2.93 0.00 0.00 61.98 58.52 1su7 s VAL 67 Cb 0.06 -0.68 0.13 0.00 -1.53 0.00 0.00 36.38 34.36 1su7 s VAL 67 CO 0.35 -0.23 1.10 -0.83 -3.33 0.00 0.00 175.10 172.16 1su7 s GLY 68 N -1.33 1.65 0.29 6.54 0.00 0.50 -4.89 107.32 110.09 1su7 s GLY 68 Ca -0.13 0.26 -0.02 0.00 0.00 0.00 0.00 44.72 44.83 1su7 s GLY 68 CO 0.05 0.71 1.93 -2.22 0.00 0.00 0.00 173.10 173.57 1su7 h ILE 69 N -1.67 1.21 0.00 0.90 2.04 -1.95 0.68 117.51 118.73 1su7 h ILE 69 Ca -0.47 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1su7 h ILE 69 Cb 1.27 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1su7 h ILE 69 CO 0.48 0.23 0.00 0.00 0.00 0.00 0.00 178.15 178.87 1su7 n GLY 71 N 1.12 0.78 3.69 0.00 0.00 0.23 -5.05 105.19 105.96 1su7 n GLY 71 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1su7 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su7 s ALA 72 N -2.00 3.67 0.82 4.61 0.00 -1.25 -4.68 121.76 122.93 1su7 s ALA 72 Ca 0.00 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 1su7 s ALA 72 Cb 0.00 -3.66 0.10 0.00 0.00 0.00 0.00 23.12 19.56 1su7 s ALA 72 CO 0.00 -1.01 1.18 0.95 0.00 0.00 0.00 175.76 176.88 1su7 s THR 73 N 2.39 2.04 0.24 0.00 -4.23 -1.26 -0.37 115.64 114.45 1su7 s THR 73 Ca 0.71 -0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 61.11 1su7 s THR 73 Cb -0.38 -2.99 0.22 0.00 1.34 0.00 0.00 72.50 70.69 1su7 s THR 73 CO 0.31 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 176.27 1su7 h ALA 74 N -1.10 1.18 -0.20 3.99 0.00 -1.93 0.58 119.26 121.78 1su7 h ALA 74 Ca -0.45 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 1su7 h ALA 74 Cb 1.31 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1su7 h ALA 74 CO 0.59 0.41 -0.45 1.05 0.00 0.00 0.00 179.25 180.85 1su7 h GLU 75 N 1.10 0.51 -0.02 0.00 4.11 -1.93 -0.19 114.58 118.17 1su7 h GLU 75 Ca 0.36 -0.28 -0.00 0.00 0.07 0.00 0.00 59.36 59.51 1su7 h GLU 75 Cb 0.03 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1su7 h GLU 75 CO -0.13 0.86 0.01 0.28 0.07 0.00 0.00 179.01 180.10 1su7 h VAL 76 N 0.41 1.15 -0.64 -1.06 2.07 -1.76 -1.17 116.25 115.26 1su7 h VAL 76 Ca 0.03 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1su7 h VAL 76 Cb 0.95 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1su7 h VAL 76 CO 0.08 0.12 0.38 0.40 0.02 0.00 0.00 177.57 178.58 1su7 h ILE 77 N -0.15 1.19 -0.35 4.57 2.04 -0.73 0.13 117.51 124.21 1su7 h ILE 77 Ca 0.01 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1su7 h ILE 77 Cb 0.19 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1su7 h ILE 77 CO -0.00 0.20 0.13 0.58 0.00 0.00 0.00 178.15 179.06 1su7 h VAL 78 N 0.87 1.20 -0.38 1.67 2.07 -1.01 -0.93 116.25 119.74 1su7 h VAL 78 Ca 0.23 -0.62 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 1su7 h VAL 78 Cb -0.01 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1su7 h VAL 78 CO -0.04 0.22 -0.14 0.00 0.02 0.00 0.00 177.57 177.62 1su7 h ALA 79 N 0.97 1.04 -0.38 1.67 0.00 -0.83 -1.58 119.26 120.15 1su7 h ALA 79 Ca 0.12 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1su7 h ALA 79 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1su7 h ALA 79 CO -0.01 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 179.76 1su7 h ARG 80 N 0.62 0.71 -0.54 0.00 3.08 -0.48 -0.18 114.38 117.60 1su7 h ARG 80 Ca 0.10 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 1su7 h ARG 80 Cb 0.60 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1su7 h ARG 80 CO 0.04 0.84 0.20 0.78 -1.07 0.00 0.00 179.97 180.76 1su7 h GLY 81 N 0.52 0.88 0.98 0.04 0.00 -1.03 -1.15 103.07 103.31 1su7 h GLY 81 Ca 0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1su7 h GLY 81 CO 0.03 0.46 0.27 -2.00 0.00 0.00 0.00 176.54 175.31 1su7 h LEU 82 N 0.74 0.70 -0.69 3.11 5.85 -1.12 -1.73 115.31 122.16 1su7 h LEU 82 Ca 0.18 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1su7 h LEU 82 Cb 0.23 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1su7 h LEU 82 CO -0.01 0.62 0.46 0.44 -0.34 0.00 0.00 178.44 179.61 1su7 h ASP 83 N 0.73 0.79 -0.17 1.25 5.19 -0.75 -1.11 116.42 122.34 1su7 h ASP 83 Ca 0.19 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.54 1su7 h ASP 83 Cb 0.10 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 1su7 h ASP 83 CO -0.03 0.57 0.00 0.03 -3.12 0.00 0.00 179.24 176.70 1su7 h ARG 84 N 0.93 0.42 -0.65 3.56 3.08 -0.76 -0.31 114.38 120.65 1su7 h ARG 84 Ca 0.25 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1su7 h ARG 84 Cb -0.10 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 1su7 h ARG 84 CO -0.06 0.44 0.24 0.77 -1.07 0.00 0.00 179.97 180.30 1su7 h SER 85 N 0.41 0.92 -0.54 7.04 0.02 -0.40 0.37 113.55 121.36 1su7 h SER 85 Ca 0.09 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1su7 h SER 85 Cb 0.27 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1su7 h SER 85 CO 0.01 0.85 0.14 0.40 -1.14 0.00 0.00 176.83 177.09 1su7 h ILE 86 N 0.93 1.24 -0.74 3.27 2.04 -0.65 -0.29 117.51 123.32 1su7 h ILE 86 Ca 0.21 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 1su7 h ILE 86 Cb 0.24 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1su7 h ILE 86 CO -0.01 0.32 0.24 0.00 0.00 0.00 0.00 178.15 178.70 1su7 h ALA 87 N 1.01 0.97 -0.66 1.87 0.00 -0.70 0.71 119.26 122.46 1su7 h ALA 87 Ca 0.17 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1su7 h ALA 87 Cb 0.33 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1su7 h ALA 87 CO 0.00 0.65 0.31 0.00 0.00 0.00 0.00 179.25 180.21 1su7 h ALA 88 N 1.12 0.86 -0.25 0.00 0.00 -0.63 0.14 119.26 120.50 1su7 h ALA 88 Ca 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1su7 h ALA 88 Cb 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1su7 h ALA 88 CO -0.01 0.43 0.15 0.78 0.00 0.00 0.00 179.25 180.60 1su7 h GLY 89 N 0.92 0.36 1.21 0.00 0.00 -0.60 -1.91 103.07 103.05 1su7 h GLY 89 Ca 0.23 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.44 1su7 h GLY 89 CO -0.03 0.15 0.45 0.00 0.00 0.00 0.00 176.54 177.11 1su7 h ALA 90 N 1.04 1.62 -0.28 3.60 0.00 -0.55 -1.30 119.26 123.41 1su7 h ALA 90 Ca 0.09 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1su7 h ALA 90 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1su7 h ALA 90 CO -0.02 0.30 -0.15 0.00 0.00 0.00 0.00 179.25 179.39 1su7 h ALA 91 N 1.61 1.23 -0.00 0.00 0.00 -0.19 0.13 119.26 122.03 1su7 h ALA 91 Ca 0.27 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1su7 h ALA 91 Cb 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1su7 h ALA 91 CO -0.08 0.50 -0.00 0.78 0.00 0.00 0.00 179.25 180.45 1su7 h GLY 92 N 0.94 0.01 1.78 0.00 0.00 -0.50 0.15 103.07 105.44 1su7 h GLY 92 Ca 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 1su7 h GLY 92 CO 0.03 0.01 -0.37 0.45 0.00 0.00 0.00 176.54 176.66 1su7 h HIS 93 N -0.59 0.29 0.00 5.60 -0.00 -1.26 -1.35 115.15 117.84 1su7 h HIS 93 Ca -0.00 -0.07 -0.07 0.00 -0.00 0.00 0.00 60.37 60.22 1su7 h HIS 93 Cb 0.60 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.93 1su7 h HIS 93 CO 0.13 0.60 -0.57 0.66 -0.00 0.00 0.00 177.93 178.75 1su7 h SER 94 N 0.22 0.00 -0.85 2.45 4.64 -0.75 -0.97 113.55 118.28 1su7 h SER 94 Ca 0.02 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1su7 h SER 94 Cb 0.76 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.81 1su7 h SER 94 CO 0.06 0.31 0.56 1.23 -0.87 0.00 0.00 176.83 178.12 1su7 h GLY 95 N 3.73 1.21 0.92 -0.77 0.00 -0.58 0.16 103.07 107.73 1su7 h GLY 95 Ca -0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1su7 h GLY 95 CO 0.04 0.41 0.01 0.84 0.00 0.00 0.00 176.54 177.84 1su7 h HIS 96 N 1.13 0.04 -0.70 5.60 6.17 -1.04 -0.53 115.15 125.80 1su7 h HIS 96 Ca 0.32 -0.00 -0.07 0.00 0.71 0.00 0.00 60.37 61.33 1su7 h HIS 96 Cb -0.09 -0.01 -0.03 0.00 2.52 0.00 0.00 27.41 29.80 1su7 h HIS 96 CO -0.02 0.11 0.16 0.00 0.71 0.00 0.00 177.93 178.89 1su7 h ALA 97 N 0.92 0.93 -0.84 5.26 0.00 -0.87 -2.09 119.26 122.58 1su7 h ALA 97 Ca 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1su7 h ALA 97 Cb 0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1su7 h ALA 97 CO -0.00 0.67 0.43 -0.22 0.00 0.00 0.00 179.25 180.12 1su7 h LYS 98 N 1.07 1.19 -0.25 0.00 3.64 -0.46 0.54 116.57 122.29 1su7 h LYS 98 Ca 0.22 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1su7 h LYS 98 Cb 0.39 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1su7 h LYS 98 CO 0.01 0.89 0.07 1.25 -2.27 0.00 0.00 179.45 179.40 1su7 h HIS 99 N 1.18 0.13 -0.67 1.91 2.76 -0.63 0.54 115.15 120.37 1su7 h HIS 99 Ca 0.29 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.40 1su7 h HIS 99 Cb 0.08 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 1su7 h HIS 99 CO 0.01 0.05 0.10 -0.07 -1.30 0.00 0.00 177.93 176.73 1su7 h LEU 100 N 0.18 1.06 -0.60 0.26 3.38 -0.87 -0.77 115.31 117.95 1su7 h LEU 100 Ca 0.11 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1su7 h LEU 100 Cb 0.10 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1su7 h LEU 100 CO -0.13 1.05 0.31 0.00 0.09 0.00 0.00 178.44 179.76 1su7 h ALA 101 N 1.07 0.78 -0.31 1.53 0.00 -0.24 0.78 119.26 122.86 1su7 h ALA 101 Ca 0.20 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1su7 h ALA 101 Cb 0.45 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1su7 h ALA 101 CO 0.01 0.32 -0.11 0.45 0.00 0.00 0.00 179.25 179.93 1su7 h HIS 102 N 0.82 0.55 -0.28 0.00 3.86 -0.71 -0.82 115.15 118.57 1su7 h HIS 102 Ca 0.21 -0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 59.25 1su7 h HIS 102 Cb 0.09 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1su7 h HIS 102 CO -0.00 0.61 -0.19 1.15 0.86 0.00 0.00 177.93 180.36 1su7 h THR 103 N 0.48 1.30 -0.57 2.45 2.02 -0.48 -0.07 112.91 118.04 1su7 h THR 103 Ca 0.09 -1.31 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 1su7 h THR 103 Cb 0.48 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 1su7 h THR 103 CO 0.03 0.42 0.35 0.25 0.37 0.00 0.00 175.52 176.93 1su7 h LEU 104 N 0.35 0.68 0.03 2.58 5.85 -0.59 0.11 115.31 124.32 1su7 h LEU 104 Ca 0.06 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1su7 h LEU 104 Cb 0.72 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1su7 h LEU 104 CO 0.05 0.53 -0.05 0.50 -0.34 0.00 0.00 178.44 179.14 1su7 h LYS 105 N 0.77 -0.10 -0.96 1.25 3.64 -0.95 -1.37 116.57 118.85 1su7 h LYS 105 Ca 0.21 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1su7 h LYS 105 Cb -0.03 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1su7 h LYS 105 CO -0.04 -0.06 0.62 0.87 -2.27 0.00 0.00 179.45 178.57 1su7 h LYS 106 N -0.10 1.14 -0.52 1.90 1.57 -0.78 -0.51 116.57 119.26 1su7 h LYS 106 Ca 0.01 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1su7 h LYS 106 Cb 0.11 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1su7 h LYS 106 CO -0.03 0.75 0.18 0.00 -0.57 0.00 0.00 179.45 179.79 1su7 h ALA 107 N 1.41 0.68 0.00 3.86 0.00 -0.16 0.11 119.26 125.16 1su7 h ALA 107 Ca 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1su7 h ALA 107 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1su7 h ALA 107 CO -0.15 0.31 -0.18 1.33 0.00 0.00 0.00 179.25 180.57 1su7 n VAL 108 N -4.51 0.09 1.39 0.00 0.24 -0.58 -2.55 118.33 112.41 1su7 n VAL 108 Ca 0.02 -0.05 0.09 0.00 -2.04 0.00 0.00 64.34 62.35 1su7 n VAL 108 Cb 0.18 -0.28 0.35 0.00 -1.47 0.00 0.00 33.84 32.62 1su7 n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1su7 n GLN 109 N -1.63 1.54 -1.15 7.34 6.02 -0.23 -4.93 117.38 124.34 1su7 n GLN 109 Ca 0.06 -0.82 -0.05 0.00 -0.01 0.00 0.00 57.00 56.19 1su7 n GLN 109 Cb 0.36 -1.33 -0.02 0.00 1.02 0.00 0.00 30.24 30.27 1su7 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1su7 n GLY 110 N 1.00 0.77 0.08 1.08 0.00 -1.03 -4.92 105.19 102.18 1su7 n GLY 110 Ca 0.14 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.62 1su7 n GLY 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1su7 n LYS 111 N -2.65 0.21 -3.11 1.61 5.02 0.34 -4.71 118.16 114.88 1su7 n LYS 111 Ca -0.05 -0.17 -0.17 0.00 -2.02 0.00 0.00 58.31 55.90 1su7 n LYS 111 Cb 0.19 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 1su7 n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1su7 n ALA 112 N -1.25 0.85 0.34 7.82 0.00 -1.14 -4.29 120.51 122.84 1su7 n ALA 112 Ca 0.05 -2.27 0.13 0.00 0.00 0.00 0.00 53.44 51.35 1su7 n ALA 112 Cb 0.35 -1.06 0.55 0.00 0.00 0.00 0.00 19.45 19.29 1su7 n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1su7 h ALA 113 N 5.19 1.00 0.00 0.00 0.00 -1.84 -1.81 119.26 121.81 1su7 h ALA 113 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1su7 h ALA 113 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1su7 h ALA 113 CO 0.24 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.94 1su7 n SER 114 N -2.35 0.00 -4.45 0.00 2.88 -1.26 -4.77 113.62 103.65 1su7 n SER 114 Ca 0.01 0.40 -0.27 0.00 -1.33 0.00 0.00 58.87 57.67 1su7 n SER 114 Cb 0.20 -0.46 -0.11 0.00 -0.75 0.00 0.00 64.21 63.09 1su7 n SER 114 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1su7 s TYR 115 N -2.91 2.39 0.25 0.66 1.51 -0.68 -5.05 117.35 113.52 1su7 s TYR 115 Ca 0.11 -0.33 -0.22 0.00 -1.01 0.00 0.00 57.07 55.63 1su7 s TYR 115 Cb 0.13 -1.20 0.03 0.00 -0.11 0.00 0.00 41.96 40.81 1su7 s TYR 115 CO 0.34 0.47 0.73 0.00 -1.11 0.00 0.00 175.55 175.99 1su7 s MET 116 N -2.58 1.66 -0.58 -0.62 0.23 -1.26 -4.86 119.30 111.28 1su7 s MET 116 Ca 0.20 -0.89 -0.28 0.00 -1.03 0.00 0.00 55.69 53.70 1su7 s MET 116 Cb -0.09 0.58 0.01 0.00 -1.53 0.00 0.00 34.83 33.81 1su7 s MET 116 CO 0.10 -0.76 1.49 0.42 -2.03 0.00 0.00 175.02 174.25 1su7 s ILE 117 N -3.82 3.69 -0.14 3.16 1.01 -1.26 -4.37 121.20 119.46 1su7 s ILE 117 Ca 0.10 0.55 -0.16 0.00 0.00 0.00 0.00 60.65 61.13 1su7 s ILE 117 Cb -0.05 -4.39 -0.24 0.00 0.01 0.00 0.00 42.46 37.79 1su7 s ILE 117 CO 0.04 -1.19 0.42 0.11 0.00 0.00 0.00 174.94 174.33 1su7 h LYS 118 N 11.66 0.16 -3.70 2.79 1.57 -0.94 -3.43 116.57 124.69 1su7 h LYS 118 Ca -0.27 -0.28 -0.74 0.00 -1.87 0.00 0.00 60.65 57.49 1su7 h LYS 118 Cb 1.10 0.10 -0.31 0.00 0.08 0.00 0.00 32.23 33.21 1su7 h LYS 118 CO 1.19 1.13 -0.14 0.34 -0.57 0.00 0.00 179.45 181.40 1su7 s ASP 119 N -6.94 5.97 0.25 0.86 -1.08 -0.29 -4.82 116.67 110.61 1su7 s ASP 119 Ca -0.23 -2.77 -0.01 0.00 -0.52 0.00 0.00 52.55 49.01 1su7 s ASP 119 Cb 0.05 -2.03 0.29 0.00 -1.46 0.00 0.00 42.92 39.78 1su7 s ASP 119 CO 0.71 -0.47 1.68 -0.09 0.52 0.00 0.00 175.17 177.52 1su7 h ARG 120 N 7.39 0.65 -0.47 4.34 2.43 -1.85 -1.31 114.38 125.56 1su7 h ARG 120 Ca 0.04 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 1su7 h ARG 120 Cb 0.99 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 1su7 h ARG 120 CO 0.74 0.82 0.25 1.15 -1.51 0.00 0.00 179.97 181.41 1su7 h THR 121 N 0.57 1.17 -0.65 0.20 2.02 -1.99 -0.79 112.91 113.45 1su7 h THR 121 Ca 0.09 -0.46 -0.09 0.00 0.77 0.00 0.00 66.41 66.72 1su7 h THR 121 Cb 0.68 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1su7 h THR 121 CO 0.05 0.19 0.07 0.50 0.37 0.00 0.00 175.52 176.70 1su7 h LYS 122 N 0.62 1.10 -0.36 6.66 1.63 -1.91 -0.48 116.57 123.83 1su7 h LYS 122 Ca 0.16 -0.31 0.07 0.00 -0.85 0.00 0.00 60.65 59.72 1su7 h LYS 122 Cb 0.07 -0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 31.53 1su7 h LYS 122 CO -0.02 1.03 -0.01 1.25 -3.45 0.00 0.00 179.45 178.24 1su7 h LEU 123 N 1.01 -0.17 -0.75 5.20 5.85 -0.75 0.81 115.31 126.52 1su7 h LEU 123 Ca 0.19 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.91 1su7 h LEU 123 Cb 0.49 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1su7 h LEU 123 CO 0.02 -0.05 0.01 0.45 -0.34 0.00 0.00 178.44 178.53 1su7 h HIS 124 N 0.09 1.04 -0.49 1.25 3.86 -0.88 -0.24 115.15 119.77 1su7 h HIS 124 Ca 0.17 -0.16 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 1su7 h HIS 124 Cb 0.24 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 1su7 h HIS 124 CO -0.26 0.93 -0.06 0.66 0.86 0.00 0.00 177.93 180.06 1su7 h SER 125 N 0.89 0.84 -0.25 2.45 4.64 -0.41 0.53 113.55 122.24 1su7 h SER 125 Ca 0.17 -0.24 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 1su7 h SER 125 Cb 0.51 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1su7 h SER 125 CO 0.02 0.94 0.02 0.40 -0.87 0.00 0.00 176.83 177.34 1su7 h ILE 126 N 0.79 1.25 -0.42 0.95 2.04 -0.66 0.09 117.51 121.54 1su7 h ILE 126 Ca 0.14 -0.85 0.08 0.00 1.00 0.00 0.00 64.86 65.23 1su7 h ILE 126 Cb 0.55 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.88 1su7 h ILE 126 CO 0.03 0.27 -0.00 0.00 0.00 0.00 0.00 178.15 178.45 1su7 h ALA 127 N 0.83 0.38 -0.94 1.87 0.00 -0.84 -0.02 119.26 120.54 1su7 h ALA 127 Ca 0.07 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1su7 h ALA 127 Cb 0.38 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1su7 h ALA 127 CO 0.01 -0.39 0.60 -0.22 0.00 0.00 0.00 179.25 179.25 1su7 h LYS 128 N 0.11 1.25 -0.31 0.00 3.64 -0.62 -0.17 116.57 120.47 1su7 h LYS 128 Ca 0.21 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1su7 h LYS 128 Cb 0.30 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1su7 h LYS 128 CO -0.34 0.85 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.56 1su7 h ARG 129 N 1.28 0.49 0.00 1.90 2.43 0.08 -2.45 114.38 118.11 1su7 h ARG 129 Ca 0.34 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1su7 h ARG 129 Cb -0.11 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1su7 h ARG 129 CO -0.07 0.55 -0.13 1.28 -1.51 0.00 0.00 179.97 180.09 1su7 n LEU 130 N -4.27 0.25 0.00 3.80 4.77 -0.12 -4.92 117.00 116.51 1su7 n LEU 130 Ca 0.01 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1su7 n LEU 130 Cb 0.26 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1su7 n LEU 130 CO 0.39 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1su7 n GLY 131 N 1.46 0.50 3.64 -0.72 0.00 -0.66 -5.05 105.19 104.36 1su7 n GLY 131 Ca 0.06 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 1su7 n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1su7 s ILE 132 N -2.00 4.95 0.38 -0.61 1.01 -0.16 -5.01 121.20 119.75 1su7 s ILE 132 Ca 0.00 1.30 -0.27 0.00 0.00 0.00 0.00 60.65 61.67 1su7 s ILE 132 Cb 0.00 -4.00 -0.10 0.00 0.01 0.00 0.00 42.46 38.37 1su7 s ILE 132 CO 0.00 0.02 1.39 -2.84 0.00 0.00 0.00 174.94 173.51 1su7 s PRO 133 N 2.42 4.09 -0.02 2.79 0.02 -1.26 -4.05 135.00 138.99 1su7 s PRO 133 Ca 0.30 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.71 1su7 s PRO 133 Cb -0.16 -2.91 -0.05 0.00 0.02 0.00 0.00 34.50 31.41 1su7 s PRO 133 CO 0.09 -0.46 0.04 0.25 -0.33 0.00 0.00 177.00 176.58 1su7 n THR 134 N 0.40 0.14 -1.71 0.99 -2.24 -1.26 -4.87 114.28 105.72 1su7 n THR 134 Ca 0.02 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1su7 n THR 134 Cb 0.41 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 1su7 n THR 134 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1su7 s GLU 135 N -2.14 4.13 0.00 -0.78 1.03 -1.26 -1.14 118.70 118.54 1su7 s GLU 135 Ca -0.01 2.61 0.00 0.00 0.03 0.00 0.00 54.97 57.60 1su7 s GLU 135 Cb 0.01 -3.40 0.00 0.00 -0.80 0.00 0.00 34.13 29.95 1su7 s GLU 135 CO 0.14 -0.81 0.00 0.41 -1.33 0.00 0.00 175.26 173.66 1su7 n GLY 136 N 4.15 0.69 3.90 -3.83 0.00 -1.26 -5.01 105.19 103.82 1su7 n GLY 136 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1su7 n GLY 136 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1su7 s GLN 137 N -0.23 3.39 0.48 1.61 -1.52 -0.29 -5.09 119.66 118.02 1su7 s GLN 137 Ca 0.00 -0.40 -0.22 0.00 -1.95 0.00 0.00 55.36 52.79 1su7 s GLN 137 Cb 0.00 -3.04 -0.07 0.00 -0.22 0.00 0.00 33.01 29.68 1su7 s GLN 137 CO 0.00 0.64 1.14 0.15 -0.25 0.00 0.00 175.29 176.97 1su7 s LYS 138 N -2.20 3.67 0.26 2.91 1.02 -1.26 -4.89 119.74 119.25 1su7 s LYS 138 Ca 0.30 1.68 -0.02 0.00 0.02 0.00 0.00 55.97 57.95 1su7 s LYS 138 Cb -0.13 -2.27 0.43 0.00 -0.52 0.00 0.00 37.83 35.34 1su7 s LYS 138 CO 0.23 -0.61 1.85 -0.44 -0.92 0.00 0.00 175.35 175.46 1su7 h ASP 139 N 1.79 0.92 -0.19 2.83 3.32 -1.98 -0.85 116.42 122.25 1su7 h ASP 139 Ca -0.49 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 1su7 h ASP 139 Cb 1.25 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1su7 h ASP 139 CO 0.59 0.55 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.29 1su7 h GLU 140 N 1.03 0.50 -0.26 3.56 3.07 -1.93 0.13 114.58 120.68 1su7 h GLU 140 Ca 0.43 -0.12 -0.19 0.00 -0.50 0.00 0.00 59.36 58.98 1su7 h GLU 140 Cb 0.28 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1su7 h GLU 140 CO -0.21 0.56 -0.60 -0.44 -1.40 0.00 0.00 179.01 176.93 1su7 h ASP 141 N 0.48 0.96 -0.29 1.42 3.32 -1.64 0.63 116.42 121.30 1su7 h ASP 141 Ca 0.10 -0.54 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 1su7 h ASP 141 Cb 0.38 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1su7 h ASP 141 CO 0.02 1.34 0.18 0.40 -1.72 0.00 0.00 179.24 179.45 1su7 h ILE 142 N 0.64 1.10 -0.51 0.35 2.04 -0.84 -0.86 117.51 119.44 1su7 h ILE 142 Ca 0.00 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 1su7 h ILE 142 Cb 1.21 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1su7 h ILE 142 CO 0.13 0.10 0.09 0.00 0.00 0.00 0.00 178.15 178.47 1su7 h ALA 143 N 1.07 1.20 -0.78 1.87 0.00 -0.65 0.85 119.26 122.83 1su7 h ALA 143 Ca 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1su7 h ALA 143 Cb 0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1su7 h ALA 143 CO -0.02 0.54 0.38 1.25 0.00 0.00 0.00 179.25 181.40 1su7 h LEU 144 N 0.76 1.00 -0.64 0.00 5.85 -0.48 0.67 115.31 122.46 1su7 h LEU 144 Ca 0.16 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 1su7 h LEU 144 Cb 0.33 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1su7 h LEU 144 CO 0.00 0.83 -0.55 -0.33 -0.34 0.00 0.00 178.44 178.06 1su7 h GLU 145 N 1.10 0.38 -0.45 1.25 4.39 -0.10 0.49 114.58 121.64 1su7 h GLU 145 Ca 0.27 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 1su7 h GLU 145 Cb 0.09 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1su7 h GLU 145 CO -0.04 0.83 -0.10 0.28 -1.16 0.00 0.00 179.01 178.82 1su7 h VAL 146 N 0.29 1.27 -0.58 3.13 2.07 -0.40 0.49 116.25 122.52 1su7 h VAL 146 Ca 0.00 -1.22 -0.09 0.00 0.82 0.00 0.00 66.70 66.22 1su7 h VAL 146 Cb 1.06 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1su7 h VAL 146 CO 0.09 0.42 0.02 0.00 0.02 0.00 0.00 177.57 178.12 1su7 h ALA 147 N 0.87 0.93 -0.57 1.67 0.00 -0.61 0.27 119.26 121.82 1su7 h ALA 147 Ca 0.11 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1su7 h ALA 147 Cb 0.64 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1su7 h ALA 147 CO 0.04 0.64 0.07 0.87 0.00 0.00 0.00 179.25 180.88 1su7 h LYS 148 N 0.92 0.92 -0.40 0.00 1.57 -0.71 -0.68 116.57 118.19 1su7 h LYS 148 Ca 0.17 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1su7 h LYS 148 Cb 0.51 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1su7 h LYS 148 CO 0.02 0.87 -0.18 0.00 -0.57 0.00 0.00 179.45 179.59 1su7 h ALA 149 N 1.20 0.93 -0.02 3.86 0.00 -0.34 0.77 119.26 125.66 1su7 h ALA 149 Ca 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1su7 h ALA 149 Cb 0.41 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1su7 h ALA 149 CO 0.01 0.62 0.01 0.00 0.00 0.00 0.00 179.25 179.88 1su7 h ALA 150 N 1.12 0.02 -0.14 0.00 0.00 -0.56 -2.01 119.26 117.69 1su7 h ALA 150 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1su7 h ALA 150 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1su7 h ALA 150 CO 0.05 -0.48 -0.24 -0.07 0.00 0.00 0.00 179.25 178.50 1su7 h LEU 151 N 0.02 0.24 -1.33 0.00 3.38 -0.85 -2.44 115.31 114.34 1su7 h LEU 151 Ca 0.01 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1su7 h LEU 151 Cb 0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1su7 h LEU 151 CO -0.01 0.50 -0.30 0.00 0.09 0.00 0.00 178.44 178.72 1su7 h ALA 152 N 1.53 1.21 0.00 1.53 0.00 -0.28 -2.14 119.26 121.11 1su7 h ALA 152 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1su7 h ALA 152 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1su7 h ALA 152 CO 0.04 0.37 0.00 -0.25 0.00 0.00 0.00 179.25 179.41 1su7 n ASP 153 N -3.75 0.00 0.12 0.00 9.92 -0.81 -2.30 116.55 119.73 1su7 n ASP 153 Ca -0.01 0.37 0.13 0.00 -0.53 0.00 0.00 54.79 54.75 1su7 n ASP 153 Cb 0.39 -0.43 0.39 0.00 -0.64 0.00 0.00 41.12 40.83 1su7 n ASP 153 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1su7 h PHE 154 N 0.00 0.00 -3.54 1.24 0.04 -1.49 0.18 116.94 113.37 1su7 h PHE 154 Ca 0.00 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.40 1su7 h PHE 154 Cb 0.19 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.20 1su7 h PHE 154 CO 0.00 0.00 -0.63 -3.38 -0.60 0.00 0.00 178.31 173.70 1su7 s HIS 155 N -3.13 1.56 0.60 -0.55 -3.43 -0.97 -0.57 115.29 108.80 1su7 s HIS 155 Ca 0.10 -1.07 -0.19 0.00 -0.80 0.00 0.00 55.06 53.10 1su7 s HIS 155 Cb 0.11 -0.93 -0.03 0.00 -1.43 0.00 0.00 32.58 30.30 1su7 s HIS 155 CO 0.59 -0.20 1.24 -1.21 -2.00 0.00 0.00 174.74 173.16 1su7 s GLU 156 N -3.96 2.89 0.00 -0.38 2.02 -1.26 -4.42 118.70 113.59 1su7 s GLU 156 Ca 0.34 1.92 0.00 0.00 0.02 0.00 0.00 54.97 57.25 1su7 s GLU 156 Cb 0.07 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.36 1su7 s GLU 156 CO 0.12 -1.30 0.00 0.36 0.02 0.00 0.00 175.26 174.46 1su7 n LYS 157 N -1.61 0.00 -0.00 1.61 2.85 -1.26 -5.03 118.16 114.72 1su7 n LYS 157 Ca 0.14 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.54 1su7 n LYS 157 Cb 0.49 0.00 0.67 0.00 -0.65 0.00 0.00 35.03 35.53 1su7 n LYS 157 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1su7 n ASP 158 N -0.39 0.94 -4.39 -5.58 8.00 -1.26 -4.73 116.55 109.14 1su7 n ASP 158 Ca 0.00 -1.33 -0.22 0.00 0.71 0.00 0.00 54.79 53.95 1su7 n ASP 158 Cb 0.00 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 40.99 1su7 n ASP 158 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1su7 s THR 159 N -1.99 2.04 0.52 -3.53 -4.23 -1.26 -5.15 115.64 102.04 1su7 s THR 159 Ca 0.41 -2.20 -0.09 0.00 -1.18 0.00 0.00 61.69 58.63 1su7 s THR 159 Cb 0.21 -2.09 0.13 0.00 1.34 0.00 0.00 72.50 72.08 1su7 s THR 159 CO 0.34 -0.44 0.56 -0.81 -0.54 0.00 0.00 174.62 173.73 1su7 n PRO 160 N -0.27 -1.40 -2.04 3.99 -0.04 -1.26 -4.90 135.00 129.08 1su7 n PRO 160 Ca -0.08 -0.88 -0.43 0.00 -0.04 0.00 0.00 63.50 62.07 1su7 n PRO 160 Cb 0.59 -0.71 -0.03 0.00 -0.04 0.00 0.00 33.50 33.32 1su7 n PRO 160 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1su7 s VAL 161 N -2.12 3.58 0.11 0.52 1.01 -0.72 -4.84 120.40 117.94 1su7 s VAL 161 Ca 0.34 0.64 0.18 0.00 0.00 0.00 0.00 61.98 63.14 1su7 s VAL 161 Cb -0.02 -3.62 0.11 0.00 0.00 0.00 0.00 36.38 32.84 1su7 s VAL 161 CO 0.25 -0.29 1.67 -0.07 0.00 0.00 0.00 175.10 176.66 1su7 h LEU 162 N 12.23 0.00 0.00 3.92 3.38 -1.91 -0.85 115.31 132.08 1su7 h LEU 162 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1su7 h LEU 162 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1su7 h LEU 162 CO 1.00 0.42 0.00 0.79 0.09 0.00 0.00 178.44 180.74 1su7 n TRP 163 N -3.48 0.00 -0.06 1.13 8.01 -1.26 -0.92 117.44 120.85 1su7 n TRP 163 Ca 0.00 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 56.07 1su7 n TRP 163 Cb 0.56 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.82 1su7 n TRP 163 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1su7 n VAL 164 N -0.55 1.18 0.26 -0.99 0.31 -0.45 -4.20 118.33 113.90 1su7 n VAL 164 Ca 0.02 -0.01 0.15 0.00 -0.01 0.00 0.00 64.34 64.50 1su7 n VAL 164 Cb 0.01 -1.90 0.55 0.00 -0.91 0.00 0.00 33.84 31.59 1su7 n VAL 164 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1su7 h THR 165 N -0.63 0.08 -0.02 2.52 1.35 -1.07 -2.36 112.91 112.78 1su7 h THR 165 Ca -0.23 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1su7 h THR 165 Cb 1.01 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1su7 h THR 165 CO -0.14 0.03 -0.09 0.35 -0.25 0.00 0.00 175.52 175.43 1su7 n THR 166 N -3.13 0.00 0.29 6.82 -2.24 -0.10 -4.34 114.28 111.58 1su7 n THR 166 Ca 0.01 -0.38 0.03 0.00 -2.27 0.00 0.00 64.05 61.45 1su7 n THR 166 Cb 0.37 1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 1su7 n THR 166 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1su7 n VAL 167 N 0.71 0.00 -4.21 2.28 0.24 -0.90 -4.96 118.33 111.49 1su7 n VAL 167 Ca 0.14 -0.40 -0.27 0.00 -2.04 0.00 0.00 64.34 61.77 1su7 n VAL 167 Cb 0.50 1.04 -0.08 0.00 -1.47 0.00 0.00 33.84 33.83 1su7 n VAL 167 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1su7 s LEU 168 N -1.81 3.26 0.67 1.34 1.43 -1.15 -4.83 118.68 117.59 1su7 s LEU 168 Ca 0.04 -0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 52.59 1su7 s LEU 168 Cb 0.05 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1su7 s LEU 168 CO 0.21 0.11 1.19 -2.84 0.23 0.00 0.00 176.35 175.25 1su7 s PRO 169 N -2.75 2.58 0.31 1.29 0.02 -1.26 -4.70 135.00 130.48 1su7 s PRO 169 Ca 0.26 1.71 0.07 0.00 0.02 0.00 0.00 61.00 63.06 1su7 s PRO 169 Cb -0.10 -1.89 0.77 0.00 0.02 0.00 0.00 34.50 33.30 1su7 s PRO 169 CO 0.18 -1.48 1.78 -1.35 -0.33 0.00 0.00 177.00 175.79 1su7 h PRO 170 N 0.21 0.72 -0.41 5.54 0.11 -1.99 -0.47 132.00 135.71 1su7 h PRO 170 Ca -0.48 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 1su7 h PRO 170 Cb 1.29 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1su7 h PRO 170 CO 0.53 0.47 0.01 0.66 -0.21 0.00 0.00 178.00 179.46 1su7 h SER 171 N 0.74 0.62 -0.15 -2.05 4.64 -1.98 0.93 113.55 116.30 1su7 h SER 171 Ca 0.58 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.69 1su7 h SER 171 Cb 0.94 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1su7 h SER 171 CO -0.38 0.69 -0.23 -0.09 -0.87 0.00 0.00 176.83 175.94 1su7 h ARG 172 N 0.62 0.42 -0.91 4.77 9.65 -1.52 -2.15 114.38 125.26 1su7 h ARG 172 Ca 0.13 -0.25 0.09 0.00 -1.10 0.00 0.00 59.98 58.84 1su7 h ARG 172 Cb 0.38 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.92 1su7 h ARG 172 CO 0.01 0.84 0.59 0.28 2.80 0.00 0.00 179.97 184.49 1su7 h VAL 173 N 0.04 1.01 -0.43 0.20 2.07 -0.68 -1.02 116.25 117.44 1su7 h VAL 173 Ca 0.01 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1su7 h VAL 173 Cb 0.81 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1su7 h VAL 173 CO 0.05 0.18 0.13 0.50 0.02 0.00 0.00 177.57 178.45 1su7 h LYS 174 N 0.96 0.66 -0.48 1.57 3.64 -0.64 0.28 116.57 122.56 1su7 h LYS 174 Ca 0.41 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.69 1su7 h LYS 174 Cb 0.33 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1su7 h LYS 174 CO -0.17 0.65 0.24 0.28 -2.27 0.00 0.00 179.45 178.18 1su7 h VAL 175 N 0.55 0.96 -0.32 2.00 2.07 -0.84 -0.39 116.25 120.29 1su7 h VAL 175 Ca 0.14 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1su7 h VAL 175 Cb 0.27 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1su7 h VAL 175 CO -0.00 0.09 -0.07 -0.07 0.02 0.00 0.00 177.57 177.53 1su7 h LEU 176 N 0.47 0.61 -1.14 2.57 3.38 -0.76 -2.78 115.31 117.66 1su7 h LEU 176 Ca 0.21 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1su7 h LEU 176 Cb 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1su7 h LEU 176 CO -0.15 0.83 0.14 0.28 0.09 0.00 0.00 178.44 179.64 1su7 h SER 177 N 0.39 0.69 0.11 -0.43 0.02 -0.20 -0.01 113.55 114.12 1su7 h SER 177 Ca 0.08 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1su7 h SER 177 Cb 0.56 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1su7 h SER 177 CO 0.03 0.67 -0.07 0.00 -1.14 0.00 0.00 176.83 176.32 1su7 h ALA 178 N 1.43 1.64 -0.59 3.77 0.00 -0.80 -0.04 119.26 124.68 1su7 h ALA 178 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1su7 h ALA 178 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1su7 h ALA 178 CO -0.01 0.09 0.00 0.72 0.00 0.00 0.00 179.25 180.05 1su7 n HIS 179 N -4.11 0.78 -2.01 0.00 8.25 -0.72 -4.95 115.22 112.46 1su7 n HIS 179 Ca -0.03 -0.39 -0.09 0.00 -0.26 0.00 0.00 57.72 56.95 1su7 n HIS 179 Cb 0.15 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.25 1su7 n HIS 179 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1su7 n GLY 180 N 1.60 0.18 0.55 -1.41 0.00 -0.03 -4.92 105.19 101.16 1su7 n GLY 180 Ca 0.22 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.85 1su7 n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1su7 n LEU 181 N -1.29 2.02 -4.70 0.99 4.77 -0.10 -4.89 117.00 113.80 1su7 n LEU 181 Ca -0.11 -0.70 -0.42 0.00 -0.03 0.00 0.00 56.01 54.75 1su7 n LEU 181 Cb 0.53 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1su7 n LEU 181 CO 0.13 0.36 0.86 -0.63 -1.33 0.00 0.00 177.39 176.78 1su7 s ILE 182 N -2.33 4.27 0.44 -0.08 -1.09 -1.26 -4.30 121.20 116.86 1su7 s ILE 182 Ca 0.23 1.62 -0.25 0.00 -2.23 0.00 0.00 60.65 60.03 1su7 s ILE 182 Cb 0.19 -4.04 -0.08 0.00 -1.58 0.00 0.00 42.46 36.95 1su7 s ILE 182 CO 0.48 0.09 1.29 -2.84 -1.23 0.00 0.00 174.94 172.73 1su7 s PRO 183 N 1.40 3.77 0.04 2.79 0.02 -1.26 -4.92 135.00 136.83 1su7 s PRO 183 Ca 0.56 2.11 0.11 0.00 0.02 0.00 0.00 61.00 63.80 1su7 s PRO 183 Cb -0.26 -2.60 -0.21 0.00 0.02 0.00 0.00 34.50 31.46 1su7 s PRO 183 CO 0.27 -0.65 0.95 0.00 -0.33 0.00 0.00 177.00 177.24 1su7 h ALA 184 N 2.32 0.59 -1.51 -1.55 0.00 -1.94 -1.91 119.26 115.27 1su7 h ALA 184 Ca -0.50 -1.17 0.09 0.00 0.00 0.00 0.00 54.91 53.33 1su7 h ALA 184 Cb 1.26 0.20 -0.25 0.00 0.00 0.00 0.00 17.79 18.99 1su7 h ALA 184 CO 0.61 1.38 0.56 0.20 0.00 0.00 0.00 179.25 182.00 1su7 s GLY 185 N -4.91 -0.16 0.02 0.00 0.00 -1.26 -4.08 107.32 96.93 1su7 s GLY 185 Ca -0.02 2.41 -0.26 0.00 0.00 0.00 0.00 44.72 46.86 1su7 s GLY 185 CO 0.82 1.39 1.36 -2.22 0.00 0.00 0.00 173.10 174.45 1su7 h ILE 186 N 2.94 0.77 0.00 0.90 2.04 -0.46 -0.83 117.51 122.87 1su7 h ILE 186 Ca -0.22 -0.49 -0.10 0.00 1.00 0.00 0.00 64.86 65.05 1su7 h ILE 186 Cb 1.17 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1su7 h ILE 186 CO 0.22 0.10 -0.47 0.44 0.00 0.00 0.00 178.15 178.44 1su7 h ASP 187 N -0.63 0.00 -0.47 1.72 3.32 -1.09 -2.30 116.42 116.96 1su7 h ASP 187 Ca -0.04 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.04 1su7 h ASP 187 Cb 0.45 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 1su7 h ASP 187 CO 0.06 0.47 0.26 -0.74 -1.72 0.00 0.00 179.24 177.58 1su7 h HIS 188 N 0.00 0.49 -0.46 4.55 -0.00 -1.36 -0.19 115.15 118.18 1su7 h HIS 188 Ca -0.00 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.26 1su7 h HIS 188 Cb 1.07 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.31 1su7 h HIS 188 CO 0.00 0.26 -0.20 0.93 -0.00 0.00 0.00 177.93 178.92 1su7 h GLU 189 N 0.52 0.95 -0.34 5.26 4.39 -0.81 0.41 114.58 124.96 1su7 h GLU 189 Ca 0.20 -0.41 0.04 0.00 0.34 0.00 0.00 59.36 59.53 1su7 h GLU 189 Cb 0.06 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1su7 h GLU 189 CO -0.11 1.07 0.13 0.82 -1.16 0.00 0.00 179.01 179.76 1su7 h ILE 190 N 0.79 0.92 -0.61 3.13 2.04 -1.14 0.78 117.51 123.43 1su7 h ILE 190 Ca 0.11 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 1su7 h ILE 190 Cb 0.77 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1su7 h ILE 190 CO 0.06 0.05 0.06 0.00 0.00 0.00 0.00 178.15 178.33 1su7 h ALA 191 N 1.21 0.82 -0.27 1.87 0.00 -0.84 -1.91 119.26 120.13 1su7 h ALA 191 Ca 0.15 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1su7 h ALA 191 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1su7 h ALA 191 CO -0.14 0.61 -0.09 1.49 0.00 0.00 0.00 179.25 181.12 1su7 h GLU 192 N 0.94 0.44 -0.26 0.00 4.81 -0.37 0.73 114.58 120.88 1su7 h GLU 192 Ca 0.18 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1su7 h GLU 192 Cb 0.48 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1su7 h GLU 192 CO 0.02 0.54 0.12 0.82 -0.73 0.00 0.00 179.01 179.77 1su7 h ILE 193 N 0.42 1.15 -0.50 2.32 1.08 -0.53 0.16 117.51 121.61 1su7 h ILE 193 Ca 0.08 -0.45 -0.05 0.00 -0.39 0.00 0.00 64.86 64.05 1su7 h ILE 193 Cb 0.41 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 1su7 h ILE 193 CO 0.02 0.16 0.09 0.24 -0.69 0.00 0.00 178.15 177.96 1su7 h MET 194 N 0.27 0.78 0.64 2.37 2.86 -0.58 -1.23 114.93 120.04 1su7 h MET 194 Ca 0.09 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1su7 h MET 194 Cb 0.14 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.69 1su7 h MET 194 CO -0.01 0.73 -0.31 1.25 1.06 0.00 0.00 176.91 179.64 1su7 h HIS 195 N 0.75 -0.79 0.00 -0.22 -0.00 -0.68 -2.83 115.15 111.37 1su7 h HIS 195 Ca 0.16 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.49 1su7 h HIS 195 Cb 0.33 0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 28.00 1su7 h HIS 195 CO 0.02 -0.45 -0.09 0.07 -0.00 0.00 0.00 177.93 177.48 1su7 h ARG 196 N -1.07 0.00 -0.01 5.26 0.11 -0.37 -1.09 114.38 117.21 1su7 h ARG 196 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 1su7 h ARG 196 Cb 0.70 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.78 1su7 h ARG 196 CO 0.14 0.09 -0.19 0.25 0.10 0.00 0.00 179.97 180.37 1su7 n THR 197 N -3.41 0.00 -1.56 0.08 -2.24 -0.49 -0.88 114.28 105.77 1su7 n THR 197 Ca -0.01 -0.23 -0.29 0.00 -2.27 0.00 0.00 64.05 61.24 1su7 n THR 197 Cb 0.25 0.71 0.12 0.00 -2.10 0.00 0.00 70.33 69.31 1su7 n THR 197 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1su7 s SER 198 N -2.29 3.88 0.32 3.42 1.04 -0.41 -4.92 113.70 114.74 1su7 s SER 198 Ca 0.28 1.07 -0.29 0.00 0.48 0.00 0.00 55.95 57.48 1su7 s SER 198 Cb 0.20 -1.69 -0.12 0.00 0.10 0.00 0.00 66.02 64.51 1su7 s SER 198 CO 0.45 -2.33 1.54 0.80 0.98 0.00 0.00 173.24 174.68 1su7 n MET 199 N -3.63 2.65 -1.17 4.02 1.56 -1.26 -2.77 117.12 116.51 1su7 n MET 199 Ca 0.07 0.94 -0.05 0.00 -0.27 0.00 0.00 57.70 58.39 1su7 n MET 199 Cb 0.58 -2.69 -0.02 0.00 2.15 0.00 0.00 33.22 33.24 1su7 n MET 199 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1su7 n GLY 200 N 1.55 0.72 0.00 -5.12 0.00 -1.26 -4.98 105.19 96.10 1su7 n GLY 200 Ca 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1su7 n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su7 s ASP 202 N 0.12 6.94 -0.34 0.00 2.15 -0.06 -4.90 116.67 120.57 1su7 s ASP 202 Ca 0.00 2.42 0.15 0.00 0.43 0.00 0.00 52.55 55.55 1su7 s ASP 202 Cb 0.00 -2.62 0.44 0.00 -0.30 0.00 0.00 42.92 40.44 1su7 s ASP 202 CO 0.00 -0.47 1.20 0.00 -0.17 0.00 0.00 175.17 175.73 1su7 n ALA 203 N 2.11 2.49 -3.72 3.66 0.00 -1.26 -4.81 120.51 118.97 1su7 n ALA 203 Ca 0.04 -2.15 -0.21 0.00 0.00 0.00 0.00 53.44 51.12 1su7 n ALA 203 Cb 0.43 -0.93 -0.18 0.00 0.00 0.00 0.00 19.45 18.77 1su7 n ALA 203 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1su7 s ASP 204 N -2.31 1.26 0.17 0.00 2.15 -1.26 -4.95 116.67 111.73 1su7 s ASP 204 Ca 0.23 -0.01 -0.13 0.00 0.43 0.00 0.00 52.55 53.07 1su7 s ASP 204 Cb 0.42 -0.29 0.07 0.00 -0.30 0.00 0.00 42.92 42.81 1su7 s ASP 204 CO -0.04 -0.20 1.77 0.00 -0.17 0.00 0.00 175.17 176.53 1su7 h ALA 205 N 8.23 0.73 -0.61 3.66 0.00 -1.95 0.11 119.26 129.42 1su7 h ALA 205 Ca -0.20 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1su7 h ALA 205 Cb 1.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1su7 h ALA 205 CO 0.24 0.26 0.07 0.37 0.00 0.00 0.00 179.25 180.19 1su7 h GLN 206 N 0.76 1.04 -0.38 0.00 5.75 -1.96 0.94 115.11 121.26 1su7 h GLN 206 Ca 0.20 -0.30 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 1su7 h GLN 206 Cb 0.07 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 1su7 h GLN 206 CO -0.03 0.99 0.14 -0.97 -2.65 0.00 0.00 178.83 176.31 1su7 h ASN 207 N 0.94 0.53 -0.67 -0.69 -1.24 -1.84 0.32 115.58 112.93 1su7 h ASN 207 Ca 0.18 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1su7 h ASN 207 Cb 0.47 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.35 1su7 h ASN 207 CO 0.02 0.56 0.43 -0.07 -1.29 0.00 0.00 177.43 177.08 1su7 h LEU 208 N 0.46 0.78 -0.62 0.34 3.38 -0.38 -1.98 115.31 117.29 1su7 h LEU 208 Ca 0.12 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1su7 h LEU 208 Cb 0.21 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1su7 h LEU 208 CO -0.01 0.57 -0.68 -0.07 0.09 0.00 0.00 178.44 178.34 1su7 h LEU 209 N 0.90 0.06 -0.77 1.67 3.38 -0.35 -0.79 115.31 119.43 1su7 h LEU 209 Ca 0.24 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1su7 h LEU 209 Cb -0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1su7 h LEU 209 CO -0.05 0.73 0.40 -0.07 0.09 0.00 0.00 178.44 179.53 1su7 h LEU 210 N 0.04 0.98 -0.87 1.67 3.38 -0.71 0.13 115.31 119.93 1su7 h LEU 210 Ca -0.01 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1su7 h LEU 210 Cb 1.21 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 1su7 h LEU 210 CO 0.09 0.81 0.57 1.23 0.09 0.00 0.00 178.44 181.23 1su7 h GLY 211 N 1.07 1.24 1.01 0.83 0.00 -0.75 -1.40 103.07 105.06 1su7 h GLY 211 Ca 0.27 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1su7 h GLY 211 CO -0.04 0.40 0.41 -1.33 0.00 0.00 0.00 176.54 175.98 1su7 h GLY 212 N 1.13 1.07 1.01 4.60 0.00 -0.18 0.48 103.07 111.17 1su7 h GLY 212 Ca 0.33 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1su7 h GLY 212 CO -0.10 0.45 0.45 1.41 0.00 0.00 0.00 176.54 178.76 1su7 h LEU 213 N 0.99 0.87 -0.54 3.11 3.38 -0.19 0.15 115.31 123.08 1su7 h LEU 213 Ca 0.26 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1su7 h LEU 213 Cb 0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1su7 h LEU 213 CO -0.04 0.67 0.16 -0.09 0.09 0.00 0.00 178.44 179.22 1su7 h ARG 214 N 1.00 0.84 0.00 1.13 2.43 -0.83 -1.79 114.38 117.16 1su7 h ARG 214 Ca 0.26 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1su7 h ARG 214 Cb -0.05 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1su7 h ARG 214 CO -0.05 0.78 -0.28 0.00 -1.51 0.00 0.00 179.97 178.91 1su7 h SER 216 N 0.00 0.06 0.90 0.00 4.64 0.11 -0.70 113.55 118.56 1su7 h SER 216 Ca -0.00 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 1su7 h SER 216 Cb 0.53 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1su7 h SER 216 CO 0.04 0.41 -0.37 -0.07 -0.87 0.00 0.00 176.83 175.96 1su7 h LEU 217 N 0.05 0.00 -0.98 5.97 3.38 -0.60 -0.17 115.31 122.97 1su7 h LEU 217 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1su7 h LEU 217 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1su7 h LEU 217 CO 0.05 0.37 0.05 0.00 0.09 0.00 0.00 178.44 179.00 1su7 h ALA 218 N 1.63 1.16 -0.49 1.53 0.00 -0.70 0.02 119.26 122.42 1su7 h ALA 218 Ca -0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1su7 h ALA 218 Cb 0.92 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1su7 h ALA 218 CO 0.05 0.55 0.11 0.22 0.00 0.00 0.00 179.25 180.18 1su7 h ASP 219 N 0.75 0.76 -0.72 0.00 1.82 -0.35 -1.55 116.42 117.14 1su7 h ASP 219 Ca 0.16 -0.24 0.06 0.00 -0.39 0.00 0.00 57.03 56.61 1su7 h ASP 219 Cb 0.38 -0.20 -0.06 0.00 0.68 0.00 0.00 39.33 40.13 1su7 h ASP 219 CO 0.01 0.81 0.42 0.25 -1.61 0.00 0.00 179.24 179.11 1su7 h LEU 220 N 0.68 0.63 -0.56 2.28 5.85 -0.69 0.94 115.31 124.44 1su7 h LEU 220 Ca 0.15 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1su7 h LEU 220 Cb 0.35 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1su7 h LEU 220 CO 0.00 0.41 0.36 0.00 -0.34 0.00 0.00 178.44 178.87 1su7 h ALA 221 N 1.36 0.71 -0.76 1.25 0.00 -0.75 0.13 119.26 121.20 1su7 h ALA 221 Ca 0.32 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1su7 h ALA 221 Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1su7 h ALA 221 CO -0.18 0.16 0.31 0.78 0.00 0.00 0.00 179.25 180.32 1su7 h GLY 222 N 0.75 1.22 0.91 0.00 0.00 -0.23 0.11 103.07 105.83 1su7 h GLY 222 Ca 0.20 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1su7 h GLY 222 CO -0.04 0.62 0.10 0.00 0.00 0.00 0.00 176.54 177.22 1su7 h TYR 224 N 0.25 1.00 -0.58 0.00 5.03 -0.48 -0.32 116.97 121.87 1su7 h TYR 224 Ca 0.08 -0.19 -0.03 0.00 2.58 0.00 0.00 58.73 61.17 1su7 h TYR 224 Cb 0.16 -0.25 -0.03 0.00 1.55 0.00 0.00 36.73 38.16 1su7 h TYR 224 CO -0.01 0.95 0.24 1.98 -1.32 0.00 0.00 178.16 180.00 1su7 h MET 225 N 0.81 0.87 -0.49 1.82 4.05 -0.69 0.14 114.93 121.44 1su7 h MET 225 Ca 0.13 -0.16 -0.04 0.00 -0.28 0.00 0.00 59.70 59.35 1su7 h MET 225 Cb 0.63 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 1su7 h MET 225 CO 0.04 0.74 0.13 0.78 0.23 0.00 0.00 176.91 178.84 1su7 h GLY 226 N 0.81 0.84 0.97 1.39 0.00 -0.26 0.07 103.07 106.88 1su7 h GLY 226 Ca 0.20 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1su7 h GLY 226 CO -0.02 0.48 0.21 -0.84 0.00 0.00 0.00 176.54 176.38 1su7 h THR 227 N 0.67 1.19 -0.12 4.70 2.02 -0.85 -0.21 112.91 120.31 1su7 h THR 227 Ca 0.16 -0.56 0.02 0.00 0.77 0.00 0.00 66.41 66.80 1su7 h THR 227 Cb 0.31 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1su7 h THR 227 CO -0.00 0.22 -0.03 0.44 0.37 0.00 0.00 175.52 176.51 1su7 h ASP 228 N 0.61 -0.12 -0.38 4.18 3.32 -0.69 0.58 116.42 123.92 1su7 h ASP 228 Ca 0.16 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 1su7 h ASP 228 Cb 0.14 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1su7 h ASP 228 CO -0.02 -0.05 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.13 1su7 h LEU 229 N -0.01 0.89 -1.12 1.55 3.38 -0.88 -1.34 115.31 117.78 1su7 h LEU 229 Ca 0.06 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 1su7 h LEU 229 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1su7 h LEU 229 CO -0.12 1.13 -0.04 0.00 0.09 0.00 0.00 178.44 179.50 1su7 h ALA 230 N 0.79 1.28 -0.40 1.53 0.00 -0.87 -0.95 119.26 120.63 1su7 h ALA 230 Ca 0.08 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1su7 h ALA 230 Cb 0.83 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1su7 h ALA 230 CO 0.07 0.48 -0.06 -0.44 0.00 0.00 0.00 179.25 179.31 1su7 h ASP 231 N 0.54 0.75 -0.21 0.00 3.32 -0.61 0.23 116.42 120.43 1su7 h ASP 231 Ca 0.11 -0.34 0.04 0.00 0.02 0.00 0.00 57.03 56.86 1su7 h ASP 231 Cb 0.41 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1su7 h ASP 231 CO 0.02 0.91 -0.03 0.40 -1.72 0.00 0.00 179.24 178.82 1su7 h ILE 232 N 0.57 0.81 -0.03 0.35 2.04 -0.89 0.11 117.51 120.47 1su7 h ILE 232 Ca 0.11 -0.01 -0.20 0.00 1.00 0.00 0.00 64.86 65.76 1su7 h ILE 232 Cb 0.57 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1su7 h ILE 232 CO 0.03 0.01 -0.83 -0.07 0.00 0.00 0.00 178.15 177.29 1su7 h LEU 233 N 0.03 0.40 -0.35 1.44 3.38 -0.98 0.14 115.31 119.37 1su7 h LEU 233 Ca 0.10 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1su7 h LEU 233 Cb 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1su7 h LEU 233 CO -0.20 1.06 0.00 0.49 0.09 0.00 0.00 178.44 179.89 1su7 n PHE 234 N -3.76 0.00 0.00 1.13 3.72 0.78 -4.03 117.46 115.31 1su7 n PHE 234 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1su7 n PHE 234 Cb 0.77 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 1su7 n PHE 234 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1su7 n GLY 235 N 0.53 2.40 3.72 1.37 0.00 0.37 -4.98 105.19 108.59 1su7 n GLY 235 Ca 0.00 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 1su7 n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1su7 s THR 236 N -1.06 3.82 0.56 2.61 2.01 -1.23 -4.55 115.64 117.80 1su7 s THR 236 Ca 0.00 1.36 -0.21 0.00 0.31 0.00 0.00 61.69 63.15 1su7 s THR 236 Cb 0.00 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 1su7 s THR 236 CO 0.00 0.14 1.29 -2.65 -0.69 0.00 0.00 174.62 172.71 1su7 n PRO 237 N 3.53 1.51 -4.36 4.92 -0.02 -1.26 -5.03 135.00 134.30 1su7 n PRO 237 Ca 0.08 0.56 -0.18 0.00 -2.02 0.00 0.00 63.50 61.94 1su7 n PRO 237 Cb 0.45 -2.50 -0.10 0.00 -0.02 0.00 0.00 33.50 31.33 1su7 n PRO 237 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1su7 s ALA 238 N -1.32 1.95 0.31 3.55 0.00 -1.20 -4.20 121.76 120.85 1su7 s ALA 238 Ca 0.73 -1.84 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 1su7 s ALA 238 Cb -0.42 0.54 -0.12 0.00 0.00 0.00 0.00 23.12 23.12 1su7 s ALA 238 CO 0.48 -0.26 1.52 -2.30 0.00 0.00 0.00 175.76 175.20 1su7 n PRO 239 N -0.48 2.56 -4.11 0.00 -0.02 -1.19 -4.34 135.00 127.41 1su7 n PRO 239 Ca -0.04 0.91 -0.09 0.00 -2.02 0.00 0.00 63.50 62.25 1su7 n PRO 239 Cb 0.64 -2.64 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 1su7 n PRO 239 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1su7 s VAL 240 N -0.40 0.43 -0.06 -1.45 -7.23 -0.16 -4.94 120.40 106.61 1su7 s VAL 240 Ca 0.61 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 59.11 1su7 s VAL 240 Cb -0.52 -1.39 -0.00 0.00 0.56 0.00 0.00 36.38 35.03 1su7 s VAL 240 CO 0.54 -0.85 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.58 1su7 s VAL 241 N -3.35 1.72 0.00 1.32 1.01 -1.26 -0.65 120.40 119.19 1su7 s VAL 241 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1su7 s VAL 241 Cb 0.04 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1su7 s VAL 241 CO -0.06 0.49 0.00 1.07 0.00 0.00 0.00 175.10 176.60 1su7 n THR 242 N 3.21 0.00 -4.16 3.92 5.66 0.12 -4.90 114.28 118.13 1su7 n THR 242 Ca -0.19 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.71 1su7 n THR 242 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 1su7 n THR 242 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1su7 s GLU 243 N 1.40 0.98 0.12 1.09 2.02 -1.26 -0.55 118.70 122.51 1su7 s GLU 243 Ca 0.00 -1.47 -0.04 0.00 0.02 0.00 0.00 54.97 53.48 1su7 s GLU 243 Cb 0.00 0.22 -0.03 0.00 0.10 0.00 0.00 34.13 34.43 1su7 s GLU 243 CO 0.00 -0.28 0.12 -1.54 0.02 0.00 0.00 175.26 173.58 1su7 s SER 244 N -3.07 0.25 0.00 -0.19 1.04 -0.33 -1.87 113.70 109.53 1su7 s SER 244 Ca 0.26 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1su7 s SER 244 Cb 0.07 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1su7 s SER 244 CO 0.03 -0.76 0.00 -3.20 0.98 0.00 0.00 173.24 170.30 1su7 n ASN 245 N -0.10 0.00 0.29 7.02 4.05 0.57 -1.05 115.26 126.04 1su7 n ASN 245 Ca -0.08 0.00 0.16 0.00 0.45 0.00 0.00 54.58 55.11 1su7 n ASN 245 Cb 0.63 0.00 0.86 0.00 1.23 0.00 0.00 39.78 42.50 1su7 n ASN 245 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1su7 h LEU 246 N 0.00 0.00 0.00 1.20 3.38 -1.58 -1.37 115.31 116.94 1su7 h LEU 246 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1su7 h LEU 246 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1su7 h LEU 246 CO 0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1su7 n GLY 247 N -0.70 -0.48 0.07 0.83 0.00 -0.20 -1.19 105.19 103.52 1su7 n GLY 247 Ca -0.02 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.07 1su7 n GLY 247 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1su7 n VAL 248 N -1.15 0.48 -2.36 1.61 0.24 -0.52 -4.76 118.33 111.87 1su7 n VAL 248 Ca 0.06 -0.08 -0.35 0.00 -2.04 0.00 0.00 64.34 61.94 1su7 n VAL 248 Cb 0.06 -0.68 -0.01 0.00 -1.47 0.00 0.00 33.84 31.74 1su7 n VAL 248 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1su7 s LEU 249 N -3.91 3.80 -0.14 1.34 1.43 -0.33 -5.03 118.68 115.84 1su7 s LEU 249 Ca 0.10 2.09 -0.01 0.00 -1.03 0.00 0.00 54.13 55.29 1su7 s LEU 249 Cb 0.14 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.83 1su7 s LEU 249 CO 0.52 -1.04 -0.06 -0.54 0.23 0.00 0.00 176.35 175.45 1su7 s LYS 250 N -3.23 1.45 0.48 1.70 1.02 -1.26 -5.02 119.74 114.88 1su7 s LYS 250 Ca 0.70 -0.37 0.16 0.00 0.02 0.00 0.00 55.97 56.48 1su7 s LYS 250 Cb -0.21 -1.77 1.16 0.00 -0.52 0.00 0.00 37.83 36.48 1su7 s LYS 250 CO 0.25 -0.35 2.06 0.00 -0.92 0.00 0.00 175.35 176.39 1su7 h ALA 251 N 8.16 2.06 -0.47 5.17 0.00 -1.96 -1.96 119.26 130.26 1su7 h ALA 251 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1su7 h ALA 251 Cb 1.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1su7 h ALA 251 CO 0.40 -0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.12 1su7 n ASP 252 N -4.48 2.89 -4.70 0.00 5.68 -1.26 -4.87 116.55 109.81 1su7 n ASP 252 Ca 0.04 -1.96 -0.23 0.00 -0.50 0.00 0.00 54.79 52.14 1su7 n ASP 252 Cb 0.27 -0.31 -0.07 0.00 -1.14 0.00 0.00 41.12 39.87 1su7 n ASP 252 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1su7 s ALA 253 N -1.38 3.38 -0.41 2.12 0.00 -0.74 -0.41 121.76 124.32 1su7 s ALA 253 Ca 0.37 -1.78 -0.29 0.00 0.00 0.00 0.00 51.96 50.26 1su7 s ALA 253 Cb 0.20 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1su7 s ALA 253 CO 0.27 0.11 1.26 0.08 0.00 0.00 0.00 175.76 177.48 1su7 s VAL 254 N -2.40 4.10 -0.25 0.00 1.01 -0.45 -4.87 120.40 117.56 1su7 s VAL 254 Ca 0.35 1.16 -0.18 0.00 0.00 0.00 0.00 61.98 63.31 1su7 s VAL 254 Cb -0.04 -4.37 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1su7 s VAL 254 CO 0.22 -0.79 0.53 0.20 0.00 0.00 0.00 175.10 175.26 1su7 s ASN 255 N 3.01 6.48 -0.20 3.32 0.01 -1.26 0.16 114.94 126.47 1su7 s ASN 255 Ca 0.54 0.58 0.01 0.00 -0.71 0.00 0.00 52.86 53.29 1su7 s ASN 255 Cb -0.11 -2.29 0.03 0.00 0.41 0.00 0.00 41.25 39.29 1su7 s ASN 255 CO 0.29 -0.27 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.76 1su7 s VAL 256 N 2.17 1.94 -0.05 1.60 1.01 -0.41 -0.68 120.40 125.98 1su7 s VAL 256 Ca 0.23 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 1su7 s VAL 256 Cb -0.16 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1su7 s VAL 256 CO 0.09 0.35 0.43 0.00 0.00 0.00 0.00 175.10 175.97 1su7 s ALA 257 N 1.30 3.61 -0.11 5.51 0.00 0.38 -0.57 121.76 131.87 1su7 s ALA 257 Ca 0.01 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.61 1su7 s ALA 257 Cb -0.15 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 1su7 s ALA 257 CO -0.10 0.28 0.36 0.14 0.00 0.00 0.00 175.76 176.44 1su7 s VAL 258 N -0.36 5.22 0.02 0.00 -7.23 -0.33 -0.16 120.40 117.56 1su7 s VAL 258 Ca 0.24 0.70 -0.03 0.00 -1.81 0.00 0.00 61.98 61.08 1su7 s VAL 258 Cb -0.16 -3.69 -0.01 0.00 0.56 0.00 0.00 36.38 33.08 1su7 s VAL 258 CO 0.12 0.42 0.04 -2.28 -0.31 0.00 0.00 175.10 173.09 1su7 s HIS 259 N 0.10 0.18 0.00 2.82 5.04 -0.16 -0.60 115.29 122.67 1su7 s HIS 259 Ca 0.21 -0.39 0.00 0.00 -1.54 0.00 0.00 55.06 53.33 1su7 s HIS 259 Cb -0.14 -0.14 0.00 0.00 0.04 0.00 0.00 32.58 32.34 1su7 s HIS 259 CO 0.08 -0.24 0.00 0.41 -2.34 0.00 0.00 174.74 172.64 1su7 n GLY 260 N 1.45 0.48 0.00 1.59 0.00 -1.26 -2.96 105.19 104.49 1su7 n GLY 260 Ca -0.23 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1su7 n GLY 260 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1su7 n HIS 261 N 0.00 0.00 -3.33 1.61 8.25 -1.18 -0.28 115.22 120.29 1su7 n HIS 261 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 1su7 n HIS 261 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1su7 n HIS 261 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1su7 s ASN 262 N -2.90 6.47 0.09 0.41 3.84 -1.26 -3.90 114.94 117.68 1su7 s ASN 262 Ca 0.00 0.55 0.13 0.00 0.21 0.00 0.00 52.86 53.76 1su7 s ASN 262 Cb 0.00 -2.25 0.59 0.00 -0.55 0.00 0.00 41.25 39.04 1su7 s ASN 262 CO 0.00 -0.13 1.41 -0.81 -2.79 0.00 0.00 177.10 174.78 1su7 n PRO 263 N 4.69 0.05 -0.33 0.43 -0.04 -1.26 -1.68 135.00 136.87 1su7 n PRO 263 Ca -0.07 0.39 0.07 0.00 -0.04 0.00 0.00 63.50 63.85 1su7 n PRO 263 Cb 0.51 -1.62 0.27 0.00 -0.04 0.00 0.00 33.50 32.61 1su7 n PRO 263 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1su7 h VAL 264 N 0.00 0.94 0.00 0.52 2.07 -1.99 0.33 116.25 118.13 1su7 h VAL 264 Ca 0.00 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1su7 h VAL 264 Cb 0.18 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1su7 h VAL 264 CO 0.00 0.17 -0.36 0.25 0.02 0.00 0.00 177.57 177.65 1su7 h LEU 265 N 0.94 0.00 -0.76 2.57 5.85 -1.74 -3.38 115.31 118.79 1su7 h LEU 265 Ca 0.46 -0.30 0.12 0.00 0.84 0.00 0.00 57.88 59.00 1su7 h LEU 265 Cb 0.45 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.40 1su7 h LEU 265 CO -0.22 0.85 0.37 0.77 -0.34 0.00 0.00 178.44 179.87 1su7 h SER 266 N -1.00 0.45 0.13 1.25 4.64 -1.38 -1.82 113.55 115.82 1su7 h SER 266 Ca -0.06 0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.19 1su7 h SER 266 Cb 0.58 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1su7 h SER 266 CO -0.04 0.23 -0.53 -0.78 -0.87 0.00 0.00 176.83 174.83 1su7 h ASP 267 N 0.58 0.48 -0.06 4.97 3.58 -1.15 -1.19 116.42 123.63 1su7 h ASP 267 Ca 0.39 -0.25 -0.18 0.00 0.42 0.00 0.00 57.03 57.41 1su7 h ASP 267 Cb 0.49 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 1su7 h ASP 267 CO -0.32 0.93 -0.62 0.40 -2.88 0.00 0.00 179.24 176.75 1su7 h ILE 268 N 0.34 1.31 -0.92 2.25 1.08 -1.60 -2.34 117.51 117.62 1su7 h ILE 268 Ca 0.01 -1.86 0.10 0.00 -0.39 0.00 0.00 64.86 62.72 1su7 h ILE 268 Cb 1.05 1.82 -0.08 0.00 -3.07 0.00 0.00 36.82 36.54 1su7 h ILE 268 CO 0.09 0.59 0.56 0.40 -0.69 0.00 0.00 178.15 179.10 1su7 h ILE 269 N 0.50 0.94 -0.05 -0.67 1.08 -0.73 0.65 117.51 119.22 1su7 h ILE 269 Ca -0.01 -0.32 -0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1su7 h ILE 269 Cb 1.21 -0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1su7 h ILE 269 CO 0.12 0.17 0.01 0.58 -0.69 0.00 0.00 178.15 178.35 1su7 h VAL 270 N 0.93 1.19 0.00 1.67 2.07 -1.02 -0.55 116.25 120.54 1su7 h VAL 270 Ca 0.45 -0.57 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 1su7 h VAL 270 Cb 0.39 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1su7 h VAL 270 CO -0.25 0.16 -0.73 0.28 0.02 0.00 0.00 177.57 177.05 1su7 h SER 271 N -0.14 0.00 -0.04 0.57 0.02 -1.16 -2.98 113.55 109.83 1su7 h SER 271 Ca 0.02 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 1su7 h SER 271 Cb 0.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1su7 h SER 271 CO 0.00 0.47 -0.36 0.58 -1.14 0.00 0.00 176.83 176.38 1su7 h VAL 272 N 0.00 1.29 -0.62 2.27 2.07 -0.83 -2.68 116.25 117.75 1su7 h VAL 272 Ca -0.04 -1.49 0.07 0.00 0.82 0.00 0.00 66.70 66.06 1su7 h VAL 272 Cb 1.40 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.63 1su7 h VAL 272 CO 0.05 0.47 0.41 0.77 0.02 0.00 0.00 177.57 179.30 1su7 h SER 273 N 0.45 0.50 -0.72 0.57 4.64 -1.04 -0.83 113.55 117.12 1su7 h SER 273 Ca 0.05 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 1su7 h SER 273 Cb 0.84 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 1su7 h SER 273 CO 0.07 0.32 0.22 0.11 -0.87 0.00 0.00 176.83 176.68 1su7 h LYS 274 N 0.56 1.13 -0.15 4.77 1.57 -1.32 -2.61 116.57 120.52 1su7 h LYS 274 Ca 0.27 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1su7 h LYS 274 Cb 0.35 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1su7 h LYS 274 CO -0.08 0.96 0.10 0.93 -0.57 0.00 0.00 179.45 180.79 1su7 h GLU 275 N 1.08 0.11 -0.65 3.15 5.08 -1.06 -3.08 114.58 119.22 1su7 h GLU 275 Ca 0.23 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1su7 h GLU 275 Cb 0.31 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1su7 h GLU 275 CO -0.01 0.07 0.00 -1.33 -1.00 0.00 0.00 179.01 176.75 1su7 n MET 276 N -4.51 3.87 -0.20 2.33 2.81 -0.96 -4.45 117.12 116.01 1su7 n MET 276 Ca -0.00 -2.94 -0.04 0.00 -1.81 0.00 0.00 57.70 52.92 1su7 n MET 276 Cb 0.15 -1.94 0.02 0.00 -0.71 0.00 0.00 33.22 30.74 1su7 n MET 276 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1su7 h GLU 277 N 4.13 -0.12 0.00 0.03 4.81 -1.47 -1.41 114.58 120.55 1su7 h GLU 277 Ca 0.00 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1su7 h GLU 277 Cb 1.52 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.91 1su7 h GLU 277 CO 0.26 -0.08 -0.46 -0.91 -0.73 0.00 0.00 179.01 177.09 1su7 h ASN 278 N -0.12 0.00 -0.68 1.04 4.21 -1.87 0.41 115.58 118.57 1su7 h ASN 278 Ca 0.25 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.73 1su7 h ASN 278 Cb 0.53 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.70 1su7 h ASN 278 CO -0.66 0.46 0.28 -0.08 -1.29 0.00 0.00 177.43 176.14 1su7 h GLU 279 N 0.00 1.01 -0.33 0.81 4.81 -1.77 0.54 114.58 119.65 1su7 h GLU 279 Ca -0.00 -0.18 -0.15 0.00 -0.13 0.00 0.00 59.36 58.89 1su7 h GLU 279 Cb 0.93 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 1su7 h GLU 279 CO 0.06 0.84 -0.39 0.00 -0.73 0.00 0.00 179.01 178.80 1su7 h ALA 280 N 1.12 0.49 -0.17 2.92 0.00 -0.58 -2.81 119.26 120.23 1su7 h ALA 280 Ca 0.23 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1su7 h ALA 280 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1su7 h ALA 280 CO -0.02 0.59 -0.25 0.00 0.00 0.00 0.00 179.25 179.58 1su7 h ARG 281 N 0.63 0.31 0.00 0.00 3.08 0.21 -1.21 114.38 117.40 1su7 h ARG 281 Ca 0.05 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1su7 h ARG 281 Cb 0.98 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 1su7 h ARG 281 CO 0.09 0.55 -0.03 0.00 -1.07 0.00 0.00 179.97 179.51 1su7 h ALA 282 N 1.46 1.28 -0.01 0.04 0.00 0.29 -1.66 119.26 120.66 1su7 h ALA 282 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1su7 h ALA 282 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1su7 h ALA 282 CO 0.04 0.03 -0.09 0.00 0.00 0.00 0.00 179.25 179.23 1su7 n ALA 283 N -2.23 2.76 0.00 0.00 0.00 -0.51 -4.91 120.51 115.62 1su7 n ALA 283 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1su7 n ALA 283 Cb 0.12 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1su7 n ALA 283 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1su7 n GLY 284 N 1.22 0.56 3.94 0.00 0.00 -0.62 -4.76 105.19 105.53 1su7 n GLY 284 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1su7 n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su7 s ALA 285 N -2.00 3.68 -0.37 4.61 0.00 -0.86 -4.97 121.76 121.85 1su7 s ALA 285 Ca 0.00 -0.95 0.26 0.00 0.00 0.00 0.00 51.96 51.27 1su7 s ALA 285 Cb 0.00 -2.20 0.75 0.00 0.00 0.00 0.00 23.12 21.66 1su7 s ALA 285 CO 0.00 -0.32 1.74 1.79 0.00 0.00 0.00 175.76 178.97 1su7 h THR 286 N 0.42 0.00 0.00 0.00 1.35 -1.02 -3.31 112.91 110.36 1su7 h THR 286 Ca -0.47 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1su7 h THR 286 Cb 1.24 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1su7 h THR 286 CO 0.59 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 1su7 n GLY 287 N 0.78 -1.51 3.62 5.82 0.00 -1.26 -4.75 105.19 107.89 1su7 n GLY 287 Ca 0.03 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 1su7 n GLY 287 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1su7 s ILE 288 N -2.46 5.28 -0.69 -0.61 1.01 -1.26 -1.34 121.20 121.13 1su7 s ILE 288 Ca 0.00 0.34 -0.14 0.00 0.00 0.00 0.00 60.65 60.84 1su7 s ILE 288 Cb 0.00 -3.59 0.18 0.00 0.01 0.00 0.00 42.46 39.06 1su7 s ILE 288 CO 0.00 0.25 0.63 0.21 0.00 0.00 0.00 174.94 176.04 1su7 s ASN 289 N 1.46 6.45 0.05 3.58 2.47 0.12 -4.92 114.94 124.15 1su7 s ASN 289 Ca 0.11 -2.29 -0.30 0.00 0.42 0.00 0.00 52.86 50.79 1su7 s ASN 289 Cb -0.15 -2.19 -0.04 0.00 -1.45 0.00 0.00 41.25 37.41 1su7 s ASN 289 CO 0.09 -0.69 0.98 -0.69 -3.72 0.00 0.00 177.10 173.06 1su7 s VAL 290 N 0.80 4.66 0.12 -5.21 1.01 -1.26 -1.29 120.40 119.24 1su7 s VAL 290 Ca 0.11 2.04 0.05 0.00 0.00 0.00 0.00 61.98 64.18 1su7 s VAL 290 Cb -0.19 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1su7 s VAL 290 CO -0.03 0.23 -0.11 0.68 0.00 0.00 0.00 175.10 175.86 1su7 s VAL 291 N 0.53 1.15 -0.03 2.92 -7.23 0.26 -4.40 120.40 113.61 1su7 s VAL 291 Ca 0.50 -1.82 -0.02 0.00 -1.81 0.00 0.00 61.98 58.82 1su7 s VAL 291 Cb -0.22 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 1su7 s VAL 291 CO 0.29 -0.59 0.12 -0.83 -0.31 0.00 0.00 175.10 173.79 1su7 s GLY 292 N -2.72 2.08 0.02 2.32 0.00 0.13 -1.18 107.32 107.97 1su7 s GLY 292 Ca 0.11 -0.80 0.06 0.00 0.00 0.00 0.00 44.72 44.09 1su7 s GLY 292 CO 0.01 -0.66 -0.19 -0.42 0.00 0.00 0.00 173.10 171.85 1su7 s ILE 293 N -1.20 1.48 0.00 0.90 1.01 0.23 0.06 121.20 123.67 1su7 s ILE 293 Ca 0.23 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1su7 s ILE 293 Cb -0.12 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.08 1su7 s ILE 293 CO 0.14 0.25 0.00 0.00 0.00 0.00 0.00 174.94 175.33 1su7 h THR 296 N 0.40 1.14 -0.66 0.00 1.03 -0.75 0.22 112.91 114.29 1su7 h THR 296 Ca 0.02 -0.55 -0.06 0.00 -0.01 0.00 0.00 66.41 65.82 1su7 h THR 296 Cb 0.99 0.99 -0.03 0.00 -1.07 0.00 0.00 68.15 69.04 1su7 h THR 296 CO 0.09 0.18 0.19 1.23 -0.01 0.00 0.00 175.52 177.20 1su7 h GLY 297 N 0.61 1.11 1.03 2.99 0.00 -0.77 -1.92 103.07 106.12 1su7 h GLY 297 Ca 0.07 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1su7 h GLY 297 CO 0.01 0.63 0.55 3.43 0.00 0.00 0.00 176.54 181.15 1su7 h ASN 298 N 0.97 1.14 -0.08 0.19 2.35 0.14 0.16 115.58 120.44 1su7 h ASN 298 Ca 0.21 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1su7 h ASN 298 Cb 0.32 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1su7 h ASN 298 CO -0.00 0.88 0.05 -0.33 -1.65 0.00 0.00 177.43 176.38 1su7 h GLU 299 N 1.30 0.10 0.00 0.81 4.39 -0.18 0.11 114.58 121.11 1su7 h GLU 299 Ca 0.33 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.99 1su7 h GLU 299 Cb -0.03 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1su7 h GLU 299 CO -0.06 0.08 -0.17 -0.39 -1.16 0.00 0.00 179.01 177.31 1su7 h VAL 300 N 0.09 0.32 -0.10 3.13 -1.51 -1.11 -2.02 116.25 115.05 1su7 h VAL 300 Ca 0.03 -1.32 -0.01 0.00 -1.23 0.00 0.00 66.70 64.17 1su7 h VAL 300 Cb 0.00 2.05 -0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1su7 h VAL 300 CO -0.01 0.17 0.03 0.25 -1.23 0.00 0.00 177.57 176.78 1su7 h LEU 301 N 0.00 0.15 -0.80 4.19 6.46 -0.42 0.06 115.31 124.94 1su7 h LEU 301 Ca -0.00 -0.21 -0.06 0.00 -0.12 0.00 0.00 57.88 57.49 1su7 h LEU 301 Cb 1.04 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.90 1su7 h LEU 301 CO 0.02 0.32 0.18 0.24 -0.62 0.00 0.00 178.44 178.58 1su7 h MET 302 N -0.03 1.08 0.00 1.25 2.86 -0.64 0.71 114.93 120.16 1su7 h MET 302 Ca 0.03 -0.24 -0.26 0.00 -2.06 0.00 0.00 59.70 57.17 1su7 h MET 302 Cb 0.22 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 1su7 h MET 302 CO -0.00 0.94 -1.75 0.54 1.06 0.00 0.00 176.91 177.70 1su7 n ARG 303 N -4.24 0.64 0.00 1.72 1.74 -0.77 -4.30 116.66 111.44 1su7 n ARG 303 Ca 0.05 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1su7 n ARG 303 Cb 0.24 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1su7 n ARG 303 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1su7 n HIS 304 N -2.92 0.00 -1.50 -1.55 8.25 -0.03 -4.93 115.22 112.54 1su7 n HIS 304 Ca -0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.18 1su7 n HIS 304 Cb 0.99 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.06 1su7 n HIS 304 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1su7 n GLY 305 N 0.03 0.99 3.73 -1.41 0.00 0.24 -4.95 105.19 103.83 1su7 n GLY 305 Ca 0.00 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1su7 n GLY 305 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1su7 s ILE 306 N -2.45 2.67 0.40 -0.61 -1.09 -1.00 -4.73 121.20 114.40 1su7 s ILE 306 Ca 0.00 0.53 -0.25 0.00 -2.23 0.00 0.00 60.65 58.70 1su7 s ILE 306 Cb 0.00 -3.34 -0.08 0.00 -1.58 0.00 0.00 42.46 37.46 1su7 s ILE 306 CO 0.00 0.07 1.14 -2.16 -1.23 0.00 0.00 174.94 172.75 1su7 s PRO 307 N 0.24 4.06 -0.21 2.79 0.04 -1.26 -3.88 135.00 136.78 1su7 s PRO 307 Ca 0.63 1.75 -0.22 0.00 0.04 0.00 0.00 61.00 63.20 1su7 s PRO 307 Cb -0.42 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.47 1su7 s PRO 307 CO 0.38 -0.28 0.67 0.00 0.04 0.00 0.00 177.00 177.81 1su7 s ALA 308 N -1.48 3.57 -0.10 8.56 0.00 -0.78 -0.69 121.76 130.83 1su7 s ALA 308 Ca 0.58 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 52.14 1su7 s ALA 308 Cb -0.28 -3.04 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 1su7 s ALA 308 CO 0.35 -0.66 0.45 0.00 0.00 0.00 0.00 175.76 175.90 1su7 n THR 310 N -4.79 0.00 -3.82 0.00 5.66 -1.20 -2.82 114.28 107.31 1su7 n THR 310 Ca -0.05 -0.33 -0.12 0.00 -3.05 0.00 0.00 64.05 60.51 1su7 n THR 310 Cb 0.21 0.35 -0.09 0.00 -1.55 0.00 0.00 70.33 69.25 1su7 n THR 310 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1su7 s HIS 311 N -5.71 -0.05 0.00 1.09 0.09 -1.26 -3.13 115.29 106.32 1su7 s HIS 311 Ca 0.07 0.03 0.00 0.00 -0.00 0.00 0.00 55.06 55.16 1su7 s HIS 311 Cb -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 32.58 32.58 1su7 s HIS 311 CO 0.04 -0.35 0.00 0.45 -0.00 0.00 0.00 174.74 174.88 1su7 n SER 312 N 1.29 0.00 0.21 1.40 2.88 -1.26 -1.95 113.62 116.19 1su7 n SER 312 Ca -0.22 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.46 1su7 n SER 312 Cb 0.56 0.00 0.74 0.00 -0.75 0.00 0.00 64.21 64.76 1su7 n SER 312 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1su7 h VAL 313 N 0.00 0.75 -0.50 2.46 3.04 -1.95 -1.40 116.25 118.64 1su7 h VAL 313 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1su7 h VAL 313 Cb 0.00 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 1su7 h VAL 313 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.02 1su7 n SER 314 N -4.22 3.72 0.27 3.17 3.41 -0.82 -4.53 113.62 114.61 1su7 n SER 314 Ca 0.00 -2.32 0.10 0.00 -0.26 0.00 0.00 58.87 56.39 1su7 n SER 314 Cb 0.24 -0.50 0.70 0.00 -0.26 0.00 0.00 64.21 64.39 1su7 n SER 314 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1su7 h GLN 315 N 3.14 0.00 0.00 4.33 3.07 -1.34 0.53 115.11 124.84 1su7 h GLN 315 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1su7 h GLN 315 Cb 1.15 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.71 1su7 h GLN 315 CO 0.17 0.02 -0.15 0.93 0.09 0.00 0.00 178.83 179.89 1su7 h GLU 316 N 0.00 0.00 0.00 0.06 5.08 -1.85 -2.93 114.58 114.95 1su7 h GLU 316 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1su7 h GLU 316 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1su7 h GLU 316 CO 0.00 0.15 -0.20 0.52 -1.00 0.00 0.00 179.01 178.48 1su7 h MET 317 N 0.00 0.00 -0.42 2.33 2.86 -1.24 -1.57 114.93 116.89 1su7 h MET 317 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1su7 h MET 317 Cb 0.39 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1su7 h MET 317 CO 0.02 0.20 0.14 0.00 1.06 0.00 0.00 176.91 178.32 1su7 h ALA 318 N 1.80 1.45 -0.09 6.32 0.00 -1.65 -2.35 119.26 124.73 1su7 h ALA 318 Ca -0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1su7 h ALA 318 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1su7 h ALA 318 CO 0.03 0.41 -0.52 0.52 0.00 0.00 0.00 179.25 179.68 1su7 h MET 319 N 0.60 0.26 0.00 0.00 2.07 -1.47 -3.06 114.93 113.34 1su7 h MET 319 Ca 0.14 -0.16 -0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1su7 h MET 319 Cb 0.18 0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 29.92 1su7 h MET 319 CO -0.01 0.73 -0.00 0.82 1.07 0.00 0.00 176.91 179.52 1su7 h ILE 320 N 0.21 0.00 -0.20 -1.22 1.08 -1.13 -1.76 117.51 114.50 1su7 h ILE 320 Ca 0.01 -0.41 0.06 0.00 -0.39 0.00 0.00 64.86 64.12 1su7 h ILE 320 Cb 1.00 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 36.15 1su7 h ILE 320 CO 0.08 0.00 0.19 0.71 -0.69 0.00 0.00 178.15 178.44 1su7 h THR 321 N 0.00 0.60 0.00 -0.27 1.35 -1.43 -3.45 112.91 109.71 1su7 h THR 321 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1su7 h THR 321 Cb 0.41 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1su7 h THR 321 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1su7 n GLY 322 N -1.46 1.47 0.73 5.82 0.00 -0.66 -0.70 105.19 110.39 1su7 n GLY 322 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1su7 n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su7 n ALA 323 N -0.64 2.42 -2.71 4.61 0.00 -1.26 -4.88 120.51 118.05 1su7 n ALA 323 Ca 0.00 -0.77 -0.43 0.00 0.00 0.00 0.00 53.44 52.23 1su7 n ALA 323 Cb 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 1su7 n ALA 323 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1su7 s LEU 324 N -1.29 4.53 0.15 0.00 2.96 -1.26 -4.14 118.68 119.63 1su7 s LEU 324 Ca 0.23 -0.64 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1su7 s LEU 324 Cb 0.15 -2.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 1su7 s LEU 324 CO 0.21 -1.07 1.35 0.44 -1.32 0.00 0.00 176.35 175.97 1su7 h ASP 325 N 9.16 0.25 -4.90 3.68 3.32 -1.24 -3.35 116.42 123.34 1su7 h ASP 325 Ca -0.27 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 56.45 1su7 h ASP 325 Cb 1.08 -0.08 -0.20 0.00 0.22 0.00 0.00 39.33 40.35 1su7 h ASP 325 CO 1.03 1.04 -0.29 0.00 -1.72 0.00 0.00 179.24 179.30 1su7 s ALA 326 N -3.12 -0.77 -0.20 3.45 0.00 -0.94 -0.98 121.76 119.19 1su7 s ALA 326 Ca -0.03 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1su7 s ALA 326 Cb 0.10 0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.30 1su7 s ALA 326 CO 0.83 -0.25 -0.05 1.41 0.00 0.00 0.00 175.76 177.70 1su7 s MET 327 N -1.21 1.56 -0.30 0.00 1.75 0.11 -0.47 119.30 120.73 1su7 s MET 327 Ca -0.13 -0.76 -0.10 0.00 -1.25 0.00 0.00 55.69 53.45 1su7 s MET 327 Cb -0.05 -2.34 -0.02 0.00 2.84 0.00 0.00 34.83 35.27 1su7 s MET 327 CO 0.04 -0.52 0.16 0.42 -0.65 0.00 0.00 175.02 174.47 1su7 s ILE 328 N 1.51 4.78 0.04 10.11 1.01 0.78 -0.66 121.20 138.77 1su7 s ILE 328 Ca -0.03 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.39 1su7 s ILE 328 Cb -0.17 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1su7 s ILE 328 CO -0.07 0.11 -0.08 -0.76 0.00 0.00 0.00 174.94 174.13 1su7 s LEU 329 N 1.65 3.10 0.00 2.97 1.43 0.30 -0.99 118.68 127.14 1su7 s LEU 329 Ca 0.05 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1su7 s LEU 329 Cb -0.17 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1su7 s LEU 329 CO 0.07 0.25 0.00 -0.90 0.23 0.00 0.00 176.35 176.00 1su7 n ASP 330 N 1.30 0.00 -3.43 2.29 5.68 -1.15 -2.56 116.55 118.67 1su7 n ASP 330 Ca -0.15 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.03 1su7 n ASP 330 Cb 0.52 -0.06 -0.02 0.00 -1.14 0.00 0.00 41.12 40.43 1su7 n ASP 330 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 1su7 s TYR 331 N -0.38 -0.53 0.09 2.11 -0.85 -1.26 -4.51 117.35 112.02 1su7 s TYR 331 Ca 0.00 0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.86 1su7 s TYR 331 Cb 0.00 0.56 0.00 0.00 0.38 0.00 0.00 41.96 42.90 1su7 s TYR 331 CO 0.00 -0.86 0.00 1.04 -1.52 0.00 0.00 175.55 174.21 1su7 n GLN 332 N -0.38 -1.09 -1.04 -3.49 6.02 -1.26 -3.09 117.38 113.04 1su7 n GLN 332 Ca -0.16 0.79 -0.01 0.00 -0.01 0.00 0.00 57.00 57.61 1su7 n GLN 332 Cb 0.65 -0.88 -0.01 0.00 1.02 0.00 0.00 30.24 31.02 1su7 n GLN 332 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1su7 s ILE 334 N -1.77 4.73 0.06 0.00 1.01 -1.26 -4.89 121.20 119.07 1su7 s ILE 334 Ca 0.00 0.45 -0.32 0.00 0.00 0.00 0.00 60.65 60.78 1su7 s ILE 334 Cb 0.00 -4.25 -0.11 0.00 0.01 0.00 0.00 42.46 38.11 1su7 s ILE 334 CO 0.00 -0.60 1.87 0.00 0.00 0.00 0.00 174.94 176.21 1su7 n GLN 335 N 6.50 2.67 0.04 2.79 6.02 -1.26 -4.82 117.38 129.31 1su7 n GLN 335 Ca 0.01 0.97 0.08 0.00 -0.01 0.00 0.00 57.00 58.05 1su7 n GLN 335 Cb 0.48 -2.87 0.33 0.00 1.02 0.00 0.00 30.24 29.20 1su7 n GLN 335 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1su7 n PRO 336 N 6.24 0.05 -0.05 -1.09 -0.04 -1.26 -1.52 135.00 137.34 1su7 n PRO 336 Ca 0.19 0.33 0.24 0.00 -0.04 0.00 0.00 63.50 64.22 1su7 n PRO 336 Cb 0.36 -1.60 0.72 0.00 -0.04 0.00 0.00 33.50 32.94 1su7 n PRO 336 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1su7 h SER 337 N 0.00 0.00 -0.23 3.54 4.64 -2.00 -2.09 113.55 117.40 1su7 h SER 337 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1su7 h SER 337 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1su7 h SER 337 CO 0.00 0.00 0.16 -0.37 -0.87 0.00 0.00 176.83 175.75 1su7 h VAL 338 N 0.00 0.94 0.00 0.95 -1.51 -1.65 -0.17 116.25 114.81 1su7 h VAL 338 Ca 0.31 -0.03 -0.07 0.00 -1.23 0.00 0.00 66.70 65.67 1su7 h VAL 338 Cb 1.35 0.83 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 1su7 h VAL 338 CO -0.00 0.02 -0.36 0.00 -1.23 0.00 0.00 177.57 176.00 1su7 h ALA 339 N 1.88 1.35 0.13 5.19 0.00 -1.62 -0.92 119.26 125.27 1su7 h ALA 339 Ca 0.11 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 1su7 h ALA 339 Cb 0.30 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1su7 h ALA 339 CO -0.01 0.44 -1.06 1.15 0.00 0.00 0.00 179.25 179.77 1su7 h THR 340 N 0.00 1.31 -0.50 0.00 2.02 -1.26 -3.31 112.91 111.18 1su7 h THR 340 Ca -0.00 -2.48 0.01 0.00 0.77 0.00 0.00 66.41 64.71 1su7 h THR 340 Cb 0.65 2.99 -0.02 0.00 -1.74 0.00 0.00 68.15 70.03 1su7 h THR 340 CO 0.05 0.70 0.33 0.40 0.37 0.00 0.00 175.52 177.37 1su7 h ILE 341 N -0.36 1.12 -0.61 3.11 2.04 -1.01 -2.03 117.51 119.77 1su7 h ILE 341 Ca -0.21 -0.23 0.15 0.00 1.00 0.00 0.00 64.86 65.58 1su7 h ILE 341 Cb 1.69 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1su7 h ILE 341 CO 0.11 0.12 0.42 0.00 0.00 0.00 0.00 178.15 178.80 1su7 h ALA 342 N 1.69 2.38 -0.03 1.87 0.00 -1.25 0.57 119.26 124.50 1su7 h ALA 342 Ca 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1su7 h ALA 342 Cb -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1su7 h ALA 342 CO -0.04 -0.55 -0.12 0.93 0.00 0.00 0.00 179.25 179.47 1su7 h GLU 343 N 0.14 0.04 0.08 0.00 5.08 -1.50 -0.30 114.58 118.11 1su7 h GLU 343 Ca 0.29 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.33 1su7 h GLU 343 Cb 0.96 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1su7 h GLU 343 CO -0.04 0.16 -1.72 0.00 -1.00 0.00 0.00 179.01 176.41 1su7 n THR 345 N -3.32 0.01 -0.19 0.00 -2.24 -0.51 -4.95 114.28 103.07 1su7 n THR 345 Ca -0.21 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1su7 n THR 345 Cb 1.05 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 70.09 1su7 n THR 345 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1su7 n GLY 346 N 1.47 1.58 3.77 3.38 0.00 -0.15 -4.70 105.19 110.55 1su7 n GLY 346 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1su7 n GLY 346 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1su7 s THR 347 N -2.83 2.30 -0.39 2.61 2.01 -1.21 -4.95 115.64 113.18 1su7 s THR 347 Ca 0.00 0.30 -0.20 0.00 0.31 0.00 0.00 61.69 62.10 1su7 s THR 347 Cb 0.00 -3.19 0.01 0.00 0.01 0.00 0.00 72.50 69.33 1su7 s THR 347 CO 0.00 0.07 0.59 -0.89 -0.69 0.00 0.00 174.62 173.70 1su7 s THR 348 N -1.14 4.92 -0.20 -0.82 2.01 -0.16 -4.72 115.64 115.54 1su7 s THR 348 Ca 0.52 0.29 -0.17 0.00 0.31 0.00 0.00 61.69 62.64 1su7 s THR 348 Cb -0.44 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 1su7 s THR 348 CO 0.59 -0.39 0.46 -0.69 -0.69 0.00 0.00 174.62 173.90 1su7 s VAL 349 N 2.61 5.15 -0.13 3.82 1.01 -1.26 -0.72 120.40 130.88 1su7 s VAL 349 Ca 0.21 0.84 0.01 0.00 0.00 0.00 0.00 61.98 63.04 1su7 s VAL 349 Cb -0.15 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1su7 s VAL 349 CO 0.16 0.21 -0.14 -0.63 0.00 0.00 0.00 175.10 174.70 1su7 s ILE 350 N 1.46 1.50 0.31 2.22 1.01 0.16 -1.37 121.20 126.50 1su7 s ILE 350 Ca 0.22 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 1su7 s ILE 350 Cb -0.15 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 1su7 s ILE 350 CO 0.09 0.45 0.57 0.42 0.00 0.00 0.00 174.94 176.46 1su7 s THR 351 N 1.36 5.03 0.00 2.92 -4.23 -0.13 -0.54 115.64 120.05 1su7 s THR 351 Ca 0.02 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 1su7 s THR 351 Cb -0.13 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.95 1su7 s THR 351 CO -0.08 -0.38 0.00 0.35 -0.54 0.00 0.00 174.62 173.97 1su7 n THR 352 N -1.11 0.00 -4.75 3.99 -2.24 -1.06 -0.48 114.28 108.63 1su7 n THR 352 Ca -0.02 -0.09 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 1su7 n THR 352 Cb 0.54 0.75 -0.13 0.00 -2.10 0.00 0.00 70.33 69.39 1su7 n THR 352 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1su7 s MET 353 N -0.34 2.86 0.44 -0.78 -1.94 -1.26 -1.78 119.30 116.50 1su7 s MET 353 Ca 0.00 -0.63 0.19 0.00 -1.71 0.00 0.00 55.69 53.53 1su7 s MET 353 Cb 0.00 -2.54 1.04 0.00 2.01 0.00 0.00 34.83 35.35 1su7 s MET 353 CO 0.00 0.52 1.95 1.49 -0.01 0.00 0.00 175.02 178.97 1su7 h GLU 354 N 5.71 0.00 -0.56 2.03 4.81 -1.95 -1.21 114.58 123.41 1su7 h GLU 354 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1su7 h GLU 354 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1su7 h GLU 354 CO 0.53 0.23 0.00 0.00 -0.73 0.00 0.00 179.01 179.04 1su7 n MET 355 N -3.95 2.50 -3.25 1.92 0.00 -1.26 -4.56 117.12 108.52 1su7 n MET 355 Ca -0.02 -1.68 -0.17 0.00 0.00 0.00 0.00 57.70 55.83 1su7 n MET 355 Cb 0.31 -1.57 -0.06 0.00 0.00 0.00 0.00 33.22 31.90 1su7 n MET 355 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1su7 s SER 356 N -0.79 0.67 0.27 3.17 0.15 -0.46 -5.12 113.70 111.59 1su7 s SER 356 Ca 0.30 -1.99 0.09 0.00 0.70 0.00 0.00 55.95 55.06 1su7 s SER 356 Cb 0.19 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 65.04 1su7 s SER 356 CO 0.16 -0.19 0.00 -0.54 1.20 0.00 0.00 173.24 173.87 1su7 s LYS 357 N 0.97 2.31 -0.06 5.44 1.02 -1.26 -4.43 119.74 123.72 1su7 s LYS 357 Ca 0.24 -1.41 -0.01 0.00 0.02 0.00 0.00 55.97 54.81 1su7 s LYS 357 Cb -0.07 -2.17 0.03 0.00 -0.52 0.00 0.00 37.83 35.09 1su7 s LYS 357 CO -0.07 0.37 -0.01 0.42 -0.92 0.00 0.00 175.35 175.13 1su7 s ILE 358 N -2.32 0.42 0.14 2.17 1.01 -1.26 -5.09 121.20 116.26 1su7 s ILE 358 Ca 0.31 0.05 -0.35 0.00 0.00 0.00 0.00 60.65 60.67 1su7 s ILE 358 Cb -0.06 -0.54 -0.15 0.00 0.01 0.00 0.00 42.46 41.72 1su7 s ILE 358 CO 0.20 0.25 1.52 0.41 0.00 0.00 0.00 174.94 177.32 1su7 n THR 359 N 4.82 0.01 0.00 2.92 -1.04 -1.26 -1.04 114.28 118.69 1su7 n THR 359 Ca -0.13 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1su7 n THR 359 Cb 0.50 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 1su7 n THR 359 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1su7 n GLY 360 N 3.21 1.22 3.87 3.41 0.00 -1.26 -4.81 105.19 110.83 1su7 n GLY 360 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1su7 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su7 s ALA 361 N -2.30 3.40 0.18 4.61 0.00 -0.21 -4.97 121.76 122.46 1su7 s ALA 361 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 1su7 s ALA 361 Cb 0.00 -2.64 -0.07 0.00 0.00 0.00 0.00 23.12 20.40 1su7 s ALA 361 CO 0.00 0.14 1.00 0.99 0.00 0.00 0.00 175.76 177.89 1su7 s THR 362 N -2.21 4.15 -0.19 0.00 2.01 -0.47 -4.86 115.64 114.08 1su7 s THR 362 Ca 0.51 1.92 -0.05 0.00 0.31 0.00 0.00 61.69 64.38 1su7 s THR 362 Cb -0.10 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 1su7 s THR 362 CO 0.27 0.36 0.00 -2.28 -0.69 0.00 0.00 174.62 172.28 1su7 s HIS 363 N -0.47 3.07 -0.25 4.92 2.46 -1.26 -0.95 115.29 122.80 1su7 s HIS 363 Ca 0.46 -0.32 0.01 0.00 0.47 0.00 0.00 55.06 55.68 1su7 s HIS 363 Cb -0.26 -2.05 0.06 0.00 -0.13 0.00 0.00 32.58 30.20 1su7 s HIS 363 CO 0.32 -0.12 -0.05 0.08 -2.47 0.00 0.00 174.74 172.51 1su7 s VAL 364 N 0.73 1.66 0.15 0.89 1.01 0.37 -4.95 120.40 120.27 1su7 s VAL 364 Ca 0.00 -1.39 -0.34 0.00 0.00 0.00 0.00 61.98 60.26 1su7 s VAL 364 Cb -0.14 -1.94 -0.14 0.00 0.00 0.00 0.00 36.38 34.16 1su7 s VAL 364 CO 0.02 -0.15 1.60 -3.20 0.00 0.00 0.00 175.10 173.36 1su7 n ASN 365 N 4.61 3.16 -4.55 3.32 4.05 -1.26 -4.10 115.26 120.49 1su7 n ASN 365 Ca -0.11 1.08 -0.35 0.00 0.45 0.00 0.00 54.58 55.65 1su7 n ASN 365 Cb 0.43 -1.43 -0.11 0.00 1.23 0.00 0.00 39.78 39.90 1su7 n ASN 365 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1su7 s PHE 366 N 1.05 3.16 -0.05 1.20 5.36 -0.73 -4.91 117.98 123.05 1su7 s PHE 366 Ca 0.79 -0.15 0.06 0.00 -0.96 0.00 0.00 56.93 56.66 1su7 s PHE 366 Cb -0.67 -2.13 -0.01 0.00 -0.34 0.00 0.00 43.02 39.87 1su7 s PHE 366 CO 0.38 -0.07 -0.23 0.00 -1.46 0.00 0.00 175.22 173.84 1su7 s ALA 367 N 0.86 1.99 0.43 11.12 0.00 -1.26 -4.91 121.76 129.99 1su7 s ALA 367 Ca 0.03 -0.95 0.12 0.00 0.00 0.00 0.00 51.96 51.16 1su7 s ALA 367 Cb -0.14 -0.63 0.93 0.00 0.00 0.00 0.00 23.12 23.29 1su7 s ALA 367 CO 0.02 0.38 1.99 0.93 0.00 0.00 0.00 175.76 179.08 1su7 h GLU 368 N 6.12 0.16 0.00 0.00 3.07 -1.97 0.13 114.58 122.10 1su7 h GLU 368 Ca -0.32 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 1su7 h GLU 368 Cb 1.18 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1su7 h GLU 368 CO 0.47 0.26 0.00 0.93 -1.40 0.00 0.00 179.01 179.27 1su7 h GLU 369 N 0.16 0.00 0.00 2.33 3.07 -1.94 -2.92 114.58 115.28 1su7 h GLU 369 Ca 0.04 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.79 1su7 h GLU 369 Cb 0.25 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 27.93 1su7 h GLU 369 CO 0.01 0.00 -0.82 0.00 -1.40 0.00 0.00 179.01 176.80 1su7 n ALA 370 N -1.89 2.87 -0.13 3.43 0.00 0.35 -4.75 120.51 120.38 1su7 n ALA 370 Ca 0.00 -2.72 -0.07 0.00 0.00 0.00 0.00 53.44 50.65 1su7 n ALA 370 Cb 0.17 -0.58 0.01 0.00 0.00 0.00 0.00 19.45 19.05 1su7 n ALA 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1su7 h ALA 371 N 0.99 0.53 -0.20 0.00 0.00 -1.07 0.30 119.26 119.81 1su7 h ALA 371 Ca -0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1su7 h ALA 371 Cb 1.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1su7 h ALA 371 CO 0.06 -0.04 -0.01 0.28 0.00 0.00 0.00 179.25 179.54 1su7 h VAL 372 N 0.54 1.26 -0.59 0.00 2.07 -1.87 0.17 116.25 117.82 1su7 h VAL 372 Ca 0.16 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1su7 h VAL 372 Cb -0.03 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1su7 h VAL 372 CO -0.05 0.27 0.34 -0.33 0.02 0.00 0.00 177.57 177.82 1su7 h GLU 373 N 0.12 0.81 -0.69 1.57 5.08 -1.82 0.79 114.58 120.44 1su7 h GLU 373 Ca 0.06 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1su7 h GLU 373 Cb 0.41 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1su7 h GLU 373 CO 0.01 0.60 0.20 -0.91 -1.00 0.00 0.00 179.01 177.91 1su7 h ASN 374 N 0.79 1.02 -0.82 1.42 2.35 -0.20 -1.50 115.58 118.64 1su7 h ASN 374 Ca 0.21 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1su7 h ASN 374 Cb 0.01 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.08 1su7 h ASN 374 CO -0.04 0.97 0.40 0.00 -1.65 0.00 0.00 177.43 177.11 1su7 h ALA 375 N 1.09 1.05 -0.88 -0.83 0.00 -0.22 -1.08 119.26 118.39 1su7 h ALA 375 Ca 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1su7 h ALA 375 Cb 0.33 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1su7 h ALA 375 CO -0.00 0.61 0.49 0.87 0.00 0.00 0.00 179.25 181.22 1su7 h LYS 376 N 1.16 1.22 -0.55 0.00 1.57 -0.41 0.17 116.57 119.73 1su7 h LYS 376 Ca 0.28 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1su7 h LYS 376 Cb 0.10 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1su7 h LYS 376 CO -0.04 0.88 0.28 0.37 -0.57 0.00 0.00 179.45 180.38 1su7 h GLN 377 N 1.23 0.77 -0.24 3.15 4.15 -0.82 0.20 115.11 123.54 1su7 h GLN 377 Ca 0.31 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.61 1su7 h GLN 377 Cb 0.00 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1su7 h GLN 377 CO -0.05 0.61 0.05 0.82 -1.93 0.00 0.00 178.83 178.33 1su7 h ILE 378 N 0.73 1.22 -0.04 2.39 2.04 -0.76 -2.05 117.51 121.04 1su7 h ILE 378 Ca 0.19 -0.71 -0.10 0.00 1.00 0.00 0.00 64.86 65.24 1su7 h ILE 378 Cb 0.08 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1su7 h ILE 378 CO -0.03 0.23 -0.45 -0.07 0.00 0.00 0.00 178.15 177.82 1su7 h LEU 379 N 0.21 0.10 -1.24 1.44 3.38 -0.39 -1.93 115.31 116.89 1su7 h LEU 379 Ca 0.08 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1su7 h LEU 379 Cb 0.29 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1su7 h LEU 379 CO 0.00 0.55 -0.17 0.03 0.09 0.00 0.00 178.44 178.93 1su7 h ARG 380 N 0.08 0.31 -0.78 1.13 3.08 -0.29 0.14 114.38 118.04 1su7 h ARG 380 Ca 0.00 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1su7 h ARG 380 Cb 0.84 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.82 1su7 h ARG 380 CO 0.06 0.48 0.45 -0.07 -1.07 0.00 0.00 179.97 179.83 1su7 h LEU 381 N 0.29 0.95 -0.22 3.04 3.38 -0.64 0.04 115.31 122.14 1su7 h LEU 381 Ca 0.05 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1su7 h LEU 381 Cb 0.48 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1su7 h LEU 381 CO 0.03 0.75 0.01 0.00 0.09 0.00 0.00 178.44 179.32 1su7 h ALA 382 N 1.41 0.29 -0.83 1.53 0.00 -0.94 -1.27 119.26 119.46 1su7 h ALA 382 Ca 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1su7 h ALA 382 Cb -0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1su7 h ALA 382 CO -0.05 0.00 0.47 0.82 0.00 0.00 0.00 179.25 180.50 1su7 h ILE 383 N 0.15 1.24 -0.98 0.00 2.04 -0.82 -0.09 117.51 119.04 1su7 h ILE 383 Ca 0.06 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.41 1su7 h ILE 383 Cb 0.38 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.51 1su7 h ILE 383 CO 0.01 0.26 0.64 0.44 0.00 0.00 0.00 178.15 179.50 1su7 h ASP 384 N 1.14 1.06 -0.47 1.72 3.45 -0.72 -0.94 116.42 121.66 1su7 h ASP 384 Ca 0.29 -0.01 -0.10 0.00 0.43 0.00 0.00 57.03 57.65 1su7 h ASP 384 Cb -0.01 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.51 1su7 h ASP 384 CO -0.05 0.71 -0.10 0.74 -1.57 0.00 0.00 179.24 178.97 1su7 h THR 385 N 1.22 1.27 -0.63 0.35 2.02 -0.48 -2.00 112.91 114.66 1su7 h THR 385 Ca 0.40 -1.22 0.09 0.00 0.77 0.00 0.00 66.41 66.44 1su7 h THR 385 Cb 0.04 1.10 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 1su7 h THR 385 CO -0.13 0.42 0.27 0.15 0.37 0.00 0.00 175.52 176.60 1su7 h PHE 386 N 0.74 0.48 -0.35 3.16 3.57 -0.53 -1.60 116.94 122.42 1su7 h PHE 386 Ca 0.12 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1su7 h PHE 386 Cb 0.65 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1su7 h PHE 386 CO 0.05 0.16 0.16 0.87 -2.23 0.00 0.00 178.31 177.31 1su7 h LYS 387 N 0.48 0.48 0.00 1.11 1.57 -0.64 -1.48 116.57 118.09 1su7 h LYS 387 Ca 0.31 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1su7 h LYS 387 Cb 0.35 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1su7 h LYS 387 CO -0.28 0.38 -0.11 0.00 -0.57 0.00 0.00 179.45 178.87 1su7 h ARG 388 N 0.48 0.00 -0.62 3.15 3.08 -0.59 -2.51 114.38 117.38 1su7 h ARG 388 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1su7 h ARG 388 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1su7 h ARG 388 CO -0.02 0.11 0.00 2.89 -1.07 0.00 0.00 179.97 181.89 1su7 n ARG 389 N -3.24 4.36 -1.68 0.04 1.85 -0.56 -4.92 116.66 112.51 1su7 n ARG 389 Ca 0.01 -3.05 -0.50 0.00 -1.00 0.00 0.00 57.85 53.31 1su7 n ARG 389 Cb 0.38 -2.09 -0.05 0.00 -1.05 0.00 0.00 32.46 29.65 1su7 n ARG 389 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1su7 n LYS 390 N 0.88 1.86 -0.66 2.89 5.02 -0.95 -1.40 118.16 125.80 1su7 n LYS 390 Ca 0.27 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 57.24 1su7 n LYS 390 Cb 1.06 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1su7 n LYS 390 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1su7 n GLY 391 N 3.95 1.57 3.76 0.72 0.00 -1.26 -5.05 105.19 108.88 1su7 n GLY 391 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1su7 n GLY 391 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1su7 s LYS 392 N -0.04 4.63 0.45 1.61 1.02 -0.49 -5.01 119.74 121.91 1su7 s LYS 392 Ca 0.00 1.24 -0.23 0.00 0.02 0.00 0.00 55.97 57.01 1su7 s LYS 392 Cb 0.00 -3.29 -0.08 0.00 -0.52 0.00 0.00 37.83 33.94 1su7 s LYS 392 CO 0.00 0.49 1.10 -1.25 -0.92 0.00 0.00 175.35 174.77 1su7 s PRO 393 N -0.90 3.87 0.30 -1.68 0.04 -1.26 -5.03 135.00 130.34 1su7 s PRO 393 Ca 0.38 1.60 0.06 0.00 0.04 0.00 0.00 61.00 63.08 1su7 s PRO 393 Cb -0.23 -2.37 -0.06 0.00 0.04 0.00 0.00 34.50 31.87 1su7 s PRO 393 CO 0.27 -0.41 -0.02 0.14 0.04 0.00 0.00 177.00 177.02 1su7 s VAL 394 N -1.67 1.53 -0.47 -0.36 -7.23 -1.26 -4.95 120.40 105.98 1su7 s VAL 394 Ca 0.63 -2.08 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 1su7 s VAL 394 Cb -0.24 -2.58 0.14 0.00 0.56 0.00 0.00 36.38 34.26 1su7 s VAL 394 CO 0.29 -0.20 0.28 -0.70 -0.31 0.00 0.00 175.10 174.46 1su7 s GLU 395 N -3.77 1.41 -0.37 4.82 2.12 0.12 -5.04 118.70 117.99 1su7 s GLU 395 Ca 0.32 -2.20 -0.17 0.00 0.36 0.00 0.00 54.97 53.28 1su7 s GLU 395 Cb 0.06 -2.41 0.00 0.00 0.26 0.00 0.00 34.13 32.04 1su7 s GLU 395 CO 0.13 -1.20 0.47 0.42 -0.54 0.00 0.00 175.26 174.54 1su7 s ILE 396 N 0.09 5.05 0.28 -3.70 1.01 -1.26 -4.37 121.20 118.30 1su7 s ILE 396 Ca 0.20 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.66 1su7 s ILE 396 Cb -0.19 -3.96 -0.12 0.00 0.01 0.00 0.00 42.46 38.19 1su7 s ILE 396 CO -0.04 -0.26 1.48 -2.65 0.00 0.00 0.00 174.94 173.47 1su7 n PRO 397 N 5.66 2.34 -1.93 2.79 -0.02 -1.26 -4.83 135.00 137.75 1su7 n PRO 397 Ca -0.06 0.83 -0.40 0.00 -2.02 0.00 0.00 63.50 61.85 1su7 n PRO 397 Cb 0.49 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.43 1su7 n PRO 397 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1su7 n ASN 398 N 1.97 7.70 -3.83 2.55 5.15 -1.26 -2.74 115.26 124.80 1su7 n ASN 398 Ca 0.09 -3.05 -0.25 0.00 -0.60 0.00 0.00 54.58 50.78 1su7 n ASN 398 Cb 0.34 -1.41 -0.17 0.00 -0.53 0.00 0.00 39.78 38.01 1su7 n ASN 398 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1su7 s ILE 399 N -0.37 0.68 0.14 -1.44 1.01 -1.26 -4.96 121.20 115.00 1su7 s ILE 399 Ca 0.54 -0.14 -0.17 0.00 0.00 0.00 0.00 60.65 60.89 1su7 s ILE 399 Cb 0.17 -0.82 0.04 0.00 0.01 0.00 0.00 42.46 41.86 1su7 s ILE 399 CO -0.08 0.25 0.43 -1.59 0.00 0.00 0.00 174.94 173.96 1su7 s LYS 400 N 1.84 1.14 0.29 2.79 -2.85 -1.26 -1.04 119.74 120.66 1su7 s LYS 400 Ca 0.04 -0.73 0.10 0.00 -1.00 0.00 0.00 55.97 54.39 1su7 s LYS 400 Cb -0.13 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.07 1su7 s LYS 400 CO -0.07 -0.46 -0.15 0.95 0.10 0.00 0.00 175.35 175.72 1su7 s THR 401 N -3.82 2.27 0.08 3.79 -4.23 -0.22 -4.94 115.64 108.58 1su7 s THR 401 Ca 0.04 -2.30 -0.23 0.00 -1.18 0.00 0.00 61.69 58.02 1su7 s THR 401 Cb 0.01 -2.39 -0.07 0.00 1.34 0.00 0.00 72.50 71.39 1su7 s THR 401 CO -0.10 -0.35 0.68 -0.75 -0.54 0.00 0.00 174.62 173.56 1su7 s LYS 402 N -3.57 4.40 -0.13 3.99 2.20 -1.26 -1.18 119.74 124.19 1su7 s LYS 402 Ca 0.30 0.94 -0.01 0.00 -0.36 0.00 0.00 55.97 56.84 1su7 s LYS 402 Cb -0.02 -3.29 0.03 0.00 -1.51 0.00 0.00 37.83 33.05 1su7 s LYS 402 CO 0.14 0.50 -0.04 0.08 -0.36 0.00 0.00 175.35 175.67 1su7 s VAL 403 N -0.75 0.88 -0.16 4.02 1.01 0.29 -3.65 120.40 122.04 1su7 s VAL 403 Ca 0.33 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 1su7 s VAL 403 Cb -0.21 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 1su7 s VAL 403 CO 0.22 0.20 0.21 -0.69 0.00 0.00 0.00 175.10 175.04 1su7 s VAL 404 N 1.75 5.37 0.00 2.92 1.01 0.31 0.13 120.40 131.88 1su7 s VAL 404 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1su7 s VAL 404 Cb -0.14 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1su7 s VAL 404 CO -0.07 0.46 0.00 0.00 0.00 0.00 0.00 175.10 175.49 1su7 n ALA 405 N 3.17 0.00 -0.92 5.51 0.00 0.17 -4.64 120.51 123.80 1su7 n ALA 405 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1su7 n ALA 405 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1su7 n ALA 405 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1su7 n GLY 406 N 0.00 0.58 2.81 0.00 0.00 -1.24 -0.98 105.19 106.35 1su7 n GLY 406 Ca 0.00 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1su7 n GLY 406 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1su7 n PHE 407 N -2.87 2.84 -0.62 1.61 3.01 -0.41 -3.14 117.46 117.87 1su7 n PHE 407 Ca 0.00 -2.78 -0.31 0.00 1.01 0.00 0.00 57.45 55.38 1su7 n PHE 407 Cb 0.08 -1.90 0.20 0.00 -0.01 0.00 0.00 39.48 37.85 1su7 n PHE 407 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1su7 n SER 408 N 3.43 -1.33 -0.13 4.37 3.41 -1.26 -4.19 113.62 117.92 1su7 n SER 408 Ca 0.43 0.08 -0.02 0.00 -0.26 0.00 0.00 58.87 59.10 1su7 n SER 408 Cb 0.34 -1.26 0.22 0.00 -0.26 0.00 0.00 64.21 63.26 1su7 n SER 408 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1su7 h THR 409 N -2.19 1.21 -0.67 6.66 2.02 -1.91 0.80 112.91 118.83 1su7 h THR 409 Ca -0.52 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 65.99 1su7 h THR 409 Cb 1.31 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 1su7 h THR 409 CO 0.42 0.27 0.42 -0.33 0.37 0.00 0.00 175.52 176.68 1su7 h GLU 410 N 0.81 0.82 -0.54 6.66 3.07 -1.90 0.38 114.58 123.87 1su7 h GLU 410 Ca 0.19 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 58.89 1su7 h GLU 410 Cb 0.20 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 1su7 h GLU 410 CO -0.01 0.54 -0.09 0.00 -1.40 0.00 0.00 179.01 178.05 1su7 h ALA 411 N 1.28 0.83 -0.30 3.43 0.00 -1.48 0.71 119.26 123.74 1su7 h ALA 411 Ca 0.27 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1su7 h ALA 411 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1su7 h ALA 411 CO -0.10 0.66 0.10 0.82 0.00 0.00 0.00 179.25 180.73 1su7 h ILE 412 N 0.89 1.20 -0.52 0.00 2.04 -0.41 0.12 117.51 120.83 1su7 h ILE 412 Ca 0.14 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.38 1su7 h ILE 412 Cb 0.63 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1su7 h ILE 412 CO 0.04 0.22 0.34 0.40 0.00 0.00 0.00 178.15 179.14 1su7 h ILE 413 N 0.33 1.11 -0.56 -0.67 2.04 -0.74 0.22 117.51 119.24 1su7 h ILE 413 Ca 0.10 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1su7 h ILE 413 Cb 0.24 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1su7 h ILE 413 CO -0.00 0.12 0.37 -1.13 0.00 0.00 0.00 178.15 177.51 1su7 h ASN 414 N 0.68 0.64 -0.42 1.72 -1.24 -0.62 0.16 115.58 116.50 1su7 h ASN 414 Ca 0.20 -0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.21 1su7 h ASN 414 Cb -0.05 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 38.82 1su7 h ASN 414 CO -0.06 0.46 0.26 0.00 -1.29 0.00 0.00 177.43 176.80 1su7 h ALA 415 N 1.21 0.54 0.00 1.57 0.00 -0.55 -2.39 119.26 119.64 1su7 h ALA 415 Ca 0.21 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1su7 h ALA 415 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1su7 h ALA 415 CO -0.05 -0.06 -0.35 -0.07 0.00 0.00 0.00 179.25 178.73 1su7 h LEU 416 N 0.52 0.00 -2.01 0.00 3.38 -0.50 -2.52 115.31 114.18 1su7 h LEU 416 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1su7 h LEU 416 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1su7 h LEU 416 CO -0.07 0.35 0.00 0.77 0.09 0.00 0.00 178.44 179.58 1su7 h SER 417 N 0.00 0.00 0.67 -0.43 4.64 -0.15 0.78 113.55 119.06 1su7 h SER 417 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1su7 h SER 417 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1su7 h SER 417 CO 0.04 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.11 1su7 h LYS 418 N 0.00 0.00 0.00 4.77 1.79 -1.37 -2.37 116.57 119.39 1su7 h LYS 418 Ca 0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 1su7 h LYS 418 Cb 0.24 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1su7 h LYS 418 CO 0.00 0.00 -2.00 1.28 -1.08 0.00 0.00 179.45 177.65 1su7 n LEU 419 N -2.95 0.15 -3.21 2.94 4.77 0.23 -4.83 117.00 114.10 1su7 n LEU 419 Ca -0.00 0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 56.03 1su7 n LEU 419 Cb 0.22 0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1su7 n LEU 419 CO 0.24 0.16 0.04 0.21 -1.33 0.00 0.00 177.39 176.70 1su7 s ASN 420 N -5.00 -0.97 0.22 -1.43 3.84 -0.97 -4.99 114.94 105.64 1su7 s ASN 420 Ca -0.08 -0.25 -0.07 0.00 0.21 0.00 0.00 52.86 52.68 1su7 s ASN 420 Cb 0.11 1.72 0.19 0.00 -0.55 0.00 0.00 41.25 42.71 1su7 s ASN 420 CO 0.87 -0.28 1.75 0.00 -2.79 0.00 0.00 177.10 176.65 1su7 h ALA 421 N 7.78 1.02 -0.35 1.71 0.00 -1.73 -2.88 119.26 124.81 1su7 h ALA 421 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1su7 h ALA 421 Cb 1.16 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1su7 h ALA 421 CO 0.17 0.65 0.00 0.09 0.00 0.00 0.00 179.25 180.15 1su7 n ASN 422 N -4.25 3.33 -3.02 0.00 3.02 -1.26 -4.45 115.26 108.63 1su7 n ASN 422 Ca 0.05 -1.96 -0.17 0.00 -0.03 0.00 0.00 54.58 52.48 1su7 n ASN 422 Cb 0.24 -0.23 -0.01 0.00 -0.61 0.00 0.00 39.78 39.17 1su7 n ASN 422 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1su7 n ASP 423 N 1.37 -0.80 0.19 6.41 -0.08 -1.13 -5.00 116.55 117.51 1su7 n ASP 423 Ca 0.18 -3.03 0.06 0.00 -1.51 0.00 0.00 54.79 50.48 1su7 n ASP 423 Cb 0.57 0.31 0.52 0.00 2.34 0.00 0.00 41.12 44.87 1su7 n ASP 423 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1su7 h PRO 424 N 3.69 0.11 0.00 -0.67 0.11 -1.73 -1.09 132.00 132.42 1su7 h PRO 424 Ca -0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1su7 h PRO 424 Cb 0.96 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1su7 h PRO 424 CO 0.40 0.17 -0.08 -0.07 -0.21 0.00 0.00 178.00 178.21 1su7 h LEU 425 N 0.11 0.00 -0.61 2.35 3.38 -1.91 -3.31 115.31 115.31 1su7 h LEU 425 Ca 0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1su7 h LEU 425 Cb 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1su7 h LEU 425 CO 0.01 0.08 0.41 0.50 0.09 0.00 0.00 178.44 179.53 1su7 h LYS 426 N 0.00 0.81 -0.71 1.13 3.64 -1.57 -1.10 116.57 118.77 1su7 h LYS 426 Ca -0.00 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1su7 h LYS 426 Cb 0.75 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 1su7 h LYS 426 CO 0.01 0.53 0.47 -1.35 -2.27 0.00 0.00 179.45 176.84 1su7 h PRO 427 N 0.83 0.85 -0.05 1.90 0.11 -1.72 0.87 132.00 134.77 1su7 h PRO 427 Ca 0.23 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1su7 h PRO 427 Cb -0.09 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 30.82 1su7 h PRO 427 CO -0.05 0.56 0.02 1.25 -0.21 0.00 0.00 178.00 179.57 1su7 h LEU 428 N 0.87 0.08 -0.88 2.35 5.85 -1.55 -2.22 115.31 119.80 1su7 h LEU 428 Ca 0.28 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1su7 h LEU 428 Cb 0.04 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1su7 h LEU 428 CO -0.08 0.25 0.19 0.40 -0.34 0.00 0.00 178.44 178.86 1su7 h ILE 429 N -0.10 1.25 -0.92 4.05 2.04 -0.38 -0.13 117.51 123.31 1su7 h ILE 429 Ca 0.02 -0.87 0.10 0.00 1.00 0.00 0.00 64.86 65.10 1su7 h ILE 429 Cb 0.20 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 36.75 1su7 h ILE 429 CO -0.00 0.33 0.57 0.44 0.00 0.00 0.00 178.15 179.49 1su7 h ASP 430 N 0.97 0.85 1.70 1.72 3.32 0.81 0.65 116.42 126.44 1su7 h ASP 430 Ca 0.21 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 1su7 h ASP 430 Cb 0.30 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1su7 h ASP 430 CO -0.01 0.49 -0.25 0.78 -1.72 0.00 0.00 179.24 178.53 1su7 h ASN 431 N 0.95 0.00 -0.40 6.45 2.35 -0.73 0.11 115.58 124.31 1su7 h ASN 431 Ca 0.44 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.14 1su7 h ASN 431 Cb 0.36 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1su7 h ASN 431 CO -0.23 0.25 0.06 0.58 -1.65 0.00 0.00 177.43 176.44 1su7 h VAL 432 N 0.00 1.24 -0.44 2.81 2.07 -0.11 0.49 116.25 122.30 1su7 h VAL 432 Ca -0.00 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 1su7 h VAL 432 Cb 1.17 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1su7 h VAL 432 CO 0.03 0.30 -0.04 0.58 0.02 0.00 0.00 177.57 178.46 1su7 h VAL 433 N 0.51 1.27 -0.00 2.57 2.07 -0.59 -2.38 116.25 119.69 1su7 h VAL 433 Ca 0.12 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1su7 h VAL 433 Cb 0.37 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1su7 h VAL 433 CO 0.01 0.38 -0.02 -0.46 0.02 0.00 0.00 177.57 177.50 1su7 n ASN 434 N -4.34 0.39 0.00 0.57 0.23 0.37 -4.78 115.26 107.70 1su7 n ASN 434 Ca -0.00 -0.92 0.00 0.00 -0.53 0.00 0.00 54.58 53.13 1su7 n ASN 434 Cb 0.33 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 1su7 n ASN 434 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1su7 n GLY 435 N 1.12 0.87 0.25 4.83 0.00 -0.69 -4.90 105.19 106.69 1su7 n GLY 435 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 1su7 n GLY 435 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1su7 h ASN 436 N 0.00 0.00 -3.47 1.61 -0.26 -1.52 -3.36 115.58 108.58 1su7 h ASN 436 Ca 0.00 0.00 -0.65 0.00 -0.56 0.00 0.00 56.30 55.09 1su7 h ASN 436 Cb 0.00 0.00 -0.36 0.00 -1.06 0.00 0.00 38.32 36.90 1su7 h ASN 436 CO 0.00 0.14 -0.82 -0.63 -1.06 0.00 0.00 177.43 175.06 1su7 s ILE 437 N -4.26 1.94 0.11 2.81 -1.09 0.05 -1.94 121.20 118.82 1su7 s ILE 437 Ca -0.03 -1.20 -0.13 0.00 -2.23 0.00 0.00 60.65 57.06 1su7 s ILE 437 Cb 0.14 -1.95 -0.12 0.00 -1.58 0.00 0.00 42.46 38.95 1su7 s ILE 437 CO 0.61 0.21 1.36 -0.09 -1.23 0.00 0.00 174.94 175.79 1su7 h ARG 438 N 7.90 0.81 0.00 2.79 2.43 -0.88 -3.33 114.38 124.10 1su7 h ARG 438 Ca -0.30 -0.57 0.00 0.00 -0.81 0.00 0.00 59.98 58.30 1su7 h ARG 438 Cb 1.09 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1su7 h ARG 438 CO 0.52 1.19 0.00 0.41 -1.51 0.00 0.00 179.97 180.58 1su7 n GLY 439 N 0.49 0.94 3.16 2.80 0.00 -1.26 -4.90 105.19 106.42 1su7 n GLY 439 Ca -0.06 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 1su7 n GLY 439 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1su7 s VAL 440 N -2.19 1.40 -0.09 1.61 1.01 0.13 -0.58 120.40 121.69 1su7 s VAL 440 Ca 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1su7 s VAL 440 Cb 0.00 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1su7 s VAL 440 CO 0.00 0.40 -0.13 0.00 0.00 0.00 0.00 175.10 175.37 1su7 s LEU 442 N 0.88 4.21 -0.07 0.00 2.96 -0.31 -0.95 118.68 125.40 1su7 s LEU 442 Ca -0.10 0.11 -0.19 0.00 -0.22 0.00 0.00 54.13 53.74 1su7 s LEU 442 Cb -0.15 -2.47 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 1su7 s LEU 442 CO 0.01 -0.30 0.51 -0.36 -1.32 0.00 0.00 176.35 174.88 1su7 s PHE 443 N 2.16 3.59 0.17 5.38 0.08 0.09 -0.22 117.98 129.24 1su7 s PHE 443 Ca 0.16 1.00 -0.04 0.00 0.12 0.00 0.00 56.93 58.16 1su7 s PHE 443 Cb -0.16 -2.54 -0.03 0.00 -0.57 0.00 0.00 43.02 39.72 1su7 s PHE 443 CO 0.11 0.27 0.18 0.00 -0.10 0.00 0.00 175.22 175.69 1su7 s ALA 444 N 0.20 0.59 0.00 5.36 0.00 -0.45 -1.26 121.76 126.21 1su7 s ALA 444 Ca 0.27 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1su7 s ALA 444 Cb -0.16 1.03 0.00 0.00 0.00 0.00 0.00 23.12 23.99 1su7 s ALA 444 CO 0.13 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.70 1su7 n GLY 445 N -0.21 -1.87 3.97 0.00 0.00 -1.26 -3.93 105.19 101.89 1su7 n GLY 445 Ca -0.03 -1.53 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 1su7 n GLY 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su7 s ASN 447 N -4.68 5.55 -0.08 0.00 0.01 -1.24 -3.83 114.94 110.68 1su7 s ASN 447 Ca 0.65 0.27 -0.04 0.00 -0.71 0.00 0.00 52.86 53.03 1su7 s ASN 447 Cb -0.07 -1.32 0.04 0.00 0.41 0.00 0.00 41.25 40.31 1su7 s ASN 447 CO 0.45 -0.96 0.19 0.21 -1.51 0.00 0.00 177.10 175.48 1su7 s ASN 448 N -4.32 -0.18 0.60 -1.22 3.84 -1.11 -4.42 114.94 108.13 1su7 s ASN 448 Ca 0.53 0.39 0.35 0.00 0.21 0.00 0.00 52.86 54.34 1su7 s ASN 448 Cb -0.10 0.29 1.89 0.00 -0.55 0.00 0.00 41.25 42.78 1su7 s ASN 448 CO 0.40 -0.15 2.06 1.62 -2.79 0.00 0.00 177.10 178.24 1su7 h VAL 449 N 5.90 0.00 0.00 -5.21 3.04 -1.95 0.46 116.25 118.48 1su7 h VAL 449 Ca -0.41 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.27 1su7 h VAL 449 Cb 1.15 0.77 -0.00 0.00 -2.01 0.00 0.00 31.29 31.20 1su7 h VAL 449 CO 0.40 0.00 -0.06 0.11 -1.01 0.00 0.00 177.57 177.02 1su7 h LYS 450 N 0.00 0.00 -5.45 4.17 1.57 -1.97 -3.43 116.57 111.46 1su7 h LYS 450 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 1su7 h LYS 450 Cb 0.25 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.33 1su7 h LYS 450 CO 0.00 0.06 -0.71 0.08 -0.57 0.00 0.00 179.45 178.30 1su7 s VAL 451 N -3.58 3.50 0.02 0.50 1.01 0.15 -5.06 120.40 116.95 1su7 s VAL 451 Ca 0.02 -0.51 -0.36 0.00 0.00 0.00 0.00 61.98 61.14 1su7 s VAL 451 Cb 0.09 -2.49 -0.14 0.00 0.00 0.00 0.00 36.38 33.83 1su7 s VAL 451 CO 0.59 0.52 1.60 -2.65 0.00 0.00 0.00 175.10 175.16 1su7 n PRO 452 N 3.32 1.74 -1.68 2.72 -0.02 -1.26 -4.61 135.00 135.21 1su7 n PRO 452 Ca -0.18 0.63 -0.46 0.00 -2.02 0.00 0.00 63.50 61.47 1su7 n PRO 452 Cb 0.53 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 1su7 n PRO 452 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1su7 n GLN 453 N 4.14 2.31 -0.27 -0.52 7.27 -0.14 -1.35 117.38 128.83 1su7 n GLN 453 Ca 0.20 0.84 0.00 0.00 0.07 0.00 0.00 57.00 58.11 1su7 n GLN 453 Cb 0.24 -2.67 0.00 0.00 2.41 0.00 0.00 30.24 30.22 1su7 n GLN 453 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1su7 n ASP 454 N 5.30 0.00 -0.28 1.69 8.00 -1.26 -1.48 116.55 128.51 1su7 n ASP 454 Ca 0.20 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.67 1su7 n ASP 454 Cb 0.31 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.56 1su7 n ASP 454 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1su7 h GLN 455 N 2.57 1.14 -0.06 -1.24 4.15 -1.55 -0.52 115.11 119.60 1su7 h GLN 455 Ca 0.00 -0.12 -0.09 0.00 0.77 0.00 0.00 58.65 59.21 1su7 h GLN 455 Cb 0.00 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.46 1su7 h GLN 455 CO 0.00 0.82 -0.32 -0.91 -1.93 0.00 0.00 178.83 176.49 1su7 h ASN 456 N 1.16 0.38 -0.51 -0.69 2.35 -1.88 -1.59 115.58 114.79 1su7 h ASN 456 Ca 0.30 -0.66 0.07 0.00 -0.55 0.00 0.00 56.30 55.46 1su7 h ASN 456 Cb -0.01 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.19 1su7 h ASN 456 CO -0.05 0.98 0.19 -0.26 -1.65 0.00 0.00 177.43 176.63 1su7 h PHE 457 N -0.19 0.33 0.01 1.19 -1.00 -1.78 -0.39 116.94 115.11 1su7 h PHE 457 Ca -0.02 0.03 -0.23 0.00 2.81 0.00 0.00 57.97 60.55 1su7 h PHE 457 Cb 0.97 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.47 1su7 h PHE 457 CO 0.13 0.11 -0.97 1.79 -1.61 0.00 0.00 178.31 177.76 1su7 h THR 458 N 0.37 1.40 -0.35 -1.55 1.35 -1.13 0.20 112.91 113.20 1su7 h THR 458 Ca 0.25 -2.47 -0.06 0.00 -0.55 0.00 0.00 66.41 63.58 1su7 h THR 458 Cb 0.26 2.45 -0.01 0.00 -1.73 0.00 0.00 68.15 69.12 1su7 h THR 458 CO -0.25 0.74 -0.00 0.74 -0.25 0.00 0.00 175.52 176.50 1su7 h THR 459 N 0.23 1.26 -0.20 6.82 2.02 -1.08 -0.16 112.91 121.80 1su7 h THR 459 Ca -0.09 -0.98 -0.05 0.00 0.77 0.00 0.00 66.41 66.07 1su7 h THR 459 Cb 1.61 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 1su7 h THR 459 CO 0.17 0.32 -0.05 0.40 0.37 0.00 0.00 175.52 176.73 1su7 h ILE 460 N 0.42 1.29 -0.93 3.11 2.04 -1.06 -2.86 117.51 119.52 1su7 h ILE 460 Ca 0.10 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 1su7 h ILE 460 Cb 0.46 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1su7 h ILE 460 CO 0.02 0.31 0.54 0.00 0.00 0.00 0.00 178.15 179.02 1su7 h ALA 461 N 0.73 1.19 -0.54 1.87 0.00 -0.86 -1.48 119.26 120.17 1su7 h ALA 461 Ca 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1su7 h ALA 461 Cb 0.50 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1su7 h ALA 461 CO 0.02 0.67 0.33 0.00 0.00 0.00 0.00 179.25 180.27 1su7 h ARG 462 N 1.29 0.74 -0.55 0.00 3.08 -0.94 0.51 114.38 118.50 1su7 h ARG 462 Ca 0.33 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.25 1su7 h ARG 462 Cb -0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1su7 h ARG 462 CO -0.06 0.53 0.09 -0.22 -1.07 0.00 0.00 179.97 179.24 1su7 h LYS 463 N 0.73 0.92 -0.48 0.04 1.63 -1.17 -2.04 116.57 116.20 1su7 h LYS 463 Ca 0.20 -0.25 -0.12 0.00 -0.85 0.00 0.00 60.65 59.62 1su7 h LYS 463 Cb -0.02 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.49 1su7 h LYS 463 CO -0.04 0.89 -0.18 -0.07 -3.45 0.00 0.00 179.45 176.60 1su7 h LEU 464 N 0.81 0.97 -0.83 5.20 3.38 -0.98 -2.54 115.31 121.32 1su7 h LEU 464 Ca 0.17 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1su7 h LEU 464 Cb 0.41 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1su7 h LEU 464 CO 0.01 1.13 -0.01 -0.07 0.09 0.00 0.00 178.44 179.59 1su7 h LEU 465 N 0.83 0.85 -1.82 1.67 3.38 -0.78 -0.60 115.31 118.84 1su7 h LEU 465 Ca 0.12 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1su7 h LEU 465 Cb 0.74 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1su7 h LEU 465 CO 0.06 0.91 -0.15 0.11 0.09 0.00 0.00 178.44 179.46 1su7 h LYS 466 N 0.81 0.00 -0.68 1.13 1.79 -1.19 -0.20 116.57 118.23 1su7 h LYS 466 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1su7 h LYS 466 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1su7 h LYS 466 CO 0.02 0.15 0.00 1.04 -1.08 0.00 0.00 179.45 179.58 1su7 n GLN 467 N -3.94 3.33 -2.01 3.15 1.13 -0.55 -3.97 117.38 114.52 1su7 n GLN 467 Ca -0.02 -2.04 -0.12 0.00 -1.94 0.00 0.00 57.00 52.89 1su7 n GLN 467 Cb 0.24 -1.90 -0.02 0.00 0.11 0.00 0.00 30.24 28.67 1su7 n GLN 467 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1su7 n ASN 468 N 0.51 -3.89 -4.73 1.08 3.02 -0.68 -4.42 115.26 106.15 1su7 n ASN 468 Ca 0.18 0.06 -0.41 0.00 -0.03 0.00 0.00 54.58 54.38 1su7 n ASN 468 Cb 0.80 -2.95 -0.04 0.00 -0.61 0.00 0.00 39.78 36.97 1su7 n ASN 468 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1su7 s VAL 469 N -2.55 4.66 -0.21 2.41 1.01 -0.34 -0.40 120.40 124.99 1su7 s VAL 469 Ca 0.00 1.91 -0.29 0.00 0.00 0.00 0.00 61.98 63.60 1su7 s VAL 469 Cb 0.00 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1su7 s VAL 469 CO 0.00 0.30 1.24 -0.22 0.00 0.00 0.00 175.10 176.42 1su7 s LEU 470 N 0.21 4.10 -0.18 3.92 2.96 0.25 -4.44 118.68 125.49 1su7 s LEU 470 Ca 0.45 1.53 -0.05 0.00 -0.22 0.00 0.00 54.13 55.84 1su7 s LEU 470 Cb -0.22 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.90 1su7 s LEU 470 CO 0.27 -0.83 0.01 -0.69 -1.32 0.00 0.00 176.35 173.79 1su7 s VAL 471 N 3.67 4.19 0.24 1.68 1.01 -1.26 -0.90 120.40 129.02 1su7 s VAL 471 Ca 0.54 -0.24 0.11 0.00 0.00 0.00 0.00 61.98 62.38 1su7 s VAL 471 Cb -0.20 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1su7 s VAL 471 CO 0.15 0.45 -0.20 0.68 0.00 0.00 0.00 175.10 176.19 1su7 s VAL 472 N 0.68 2.24 0.01 2.92 -7.23 -0.12 -1.23 120.40 117.66 1su7 s VAL 472 Ca 0.00 -2.24 -0.18 0.00 -1.81 0.00 0.00 61.98 57.75 1su7 s VAL 472 Cb -0.14 -2.16 0.03 0.00 0.56 0.00 0.00 36.38 34.67 1su7 s VAL 472 CO 0.02 -0.37 0.39 0.00 -0.31 0.00 0.00 175.10 174.83 1su7 s ALA 473 N -2.37 -0.97 0.21 1.32 0.00 -0.30 -0.73 121.76 118.91 1su7 s ALA 473 Ca 0.25 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 1su7 s ALA 473 Cb -0.05 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1su7 s ALA 473 CO 0.11 -0.35 0.12 0.95 0.00 0.00 0.00 175.76 176.59 1su7 s THR 474 N -1.80 0.11 0.00 0.00 -4.23 -0.39 -0.47 115.64 108.86 1su7 s THR 474 Ca -0.10 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1su7 s THR 474 Cb -0.03 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1su7 s THR 474 CO 0.02 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1su7 n GLY 475 N -0.29 2.34 0.02 3.99 0.00 0.85 -0.95 105.19 111.14 1su7 n GLY 475 Ca 0.01 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.78 1su7 n GLY 475 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su7 h GLY 477 N 4.99 0.43 0.79 0.00 0.00 0.09 0.70 103.07 110.08 1su7 h GLY 477 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 47.33 46.89 1su7 h GLY 477 CO 0.00 0.44 0.64 0.00 0.00 0.00 0.00 176.54 177.62 1su7 h ALA 478 N 0.56 1.34 -0.32 3.60 0.00 -0.65 -1.07 119.26 122.72 1su7 h ALA 478 Ca 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1su7 h ALA 478 Cb 0.80 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1su7 h ALA 478 CO 0.05 0.47 0.19 0.78 0.00 0.00 0.00 179.25 180.74 1su7 h GLY 479 N 1.19 0.44 1.00 0.00 0.00 -0.86 0.32 103.07 105.15 1su7 h GLY 479 Ca 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1su7 h GLY 479 CO -0.15 0.13 0.07 0.00 0.00 0.00 0.00 176.54 176.58 1su7 h ALA 480 N 1.14 0.13 -0.29 3.60 0.00 -0.55 -1.60 119.26 121.69 1su7 h ALA 480 Ca 0.12 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1su7 h ALA 480 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1su7 h ALA 480 CO -0.05 -0.38 -0.34 -0.07 0.00 0.00 0.00 179.25 178.41 1su7 h LEU 481 N 0.14 0.66 -0.68 0.00 3.38 -0.92 -2.76 115.31 115.13 1su7 h LEU 481 Ca 0.04 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1su7 h LEU 481 Cb -0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1su7 h LEU 481 CO -0.01 0.94 0.17 0.00 0.09 0.00 0.00 178.44 179.64 1su7 h MET 482 N 0.53 1.09 0.00 1.13 -0.00 -0.19 -0.59 114.93 116.90 1su7 h MET 482 Ca 0.06 -0.26 0.00 0.00 -0.00 0.00 0.00 59.70 59.50 1su7 h MET 482 Cb 0.84 -0.14 0.00 0.00 -0.00 0.00 0.00 31.60 32.30 1su7 h MET 482 CO 0.07 0.96 0.00 0.54 -0.00 0.00 0.00 176.91 178.49 1su7 n ARG 483 N -4.27 0.03 -0.33 -0.10 1.74 -0.62 -1.97 116.66 111.14 1su7 n ARG 483 Ca 0.05 0.17 0.08 0.00 -0.77 0.00 0.00 57.85 57.38 1su7 n ARG 483 Cb 0.25 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.41 1su7 n ARG 483 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1su7 n HIS 484 N -1.48 0.70 -0.48 -1.55 8.25 -0.91 -4.80 115.22 114.96 1su7 n HIS 484 Ca 0.05 -0.79 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 1su7 n HIS 484 Cb 0.21 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1su7 n HIS 484 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1su7 n GLY 485 N -0.38 0.75 0.00 -1.41 0.00 -0.83 -4.93 105.19 98.39 1su7 n GLY 485 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 1su7 n GLY 485 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1su7 n PHE 486 N -2.31 0.00 -0.78 1.61 3.01 -0.28 -2.05 117.46 116.66 1su7 n PHE 486 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 1su7 n PHE 486 Cb 0.00 -0.16 0.25 0.00 -0.01 0.00 0.00 39.48 39.56 1su7 n PHE 486 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1su7 n MET 487 N -1.16 3.11 -3.77 -1.08 2.81 -1.26 -1.53 117.12 114.23 1su7 n MET 487 Ca 0.18 -2.69 -0.37 0.00 -1.81 0.00 0.00 57.70 53.02 1su7 n MET 487 Cb 0.19 -1.75 -0.13 0.00 -0.71 0.00 0.00 33.22 30.82 1su7 n MET 487 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1su7 s ASP 488 N -1.58 5.01 0.48 7.83 -1.08 -0.87 -0.53 116.67 125.93 1su7 s ASP 488 Ca 0.39 -0.39 0.32 0.00 -0.52 0.00 0.00 52.55 52.36 1su7 s ASP 488 Cb 0.30 -1.89 1.71 0.00 -1.46 0.00 0.00 42.92 41.58 1su7 s ASP 488 CO 0.12 -0.08 1.99 -0.65 0.52 0.00 0.00 175.17 177.06 1su7 h PRO 489 N 8.22 0.00 0.00 4.34 0.11 -1.86 0.49 132.00 143.30 1su7 h PRO 489 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1su7 h PRO 489 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1su7 h PRO 489 CO 0.59 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.38 1su7 h ALA 490 N 2.02 1.00 -0.63 -0.75 0.00 -1.93 -2.24 119.26 116.72 1su7 h ALA 490 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1su7 h ALA 490 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1su7 h ALA 490 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1su7 n ASN 491 N -2.54 3.61 -0.21 0.00 5.03 0.16 -4.49 115.26 116.82 1su7 n ASN 491 Ca -0.00 -1.99 -0.07 0.00 0.87 0.00 0.00 54.58 53.39 1su7 n ASN 491 Cb 0.16 -0.42 0.03 0.00 -1.02 0.00 0.00 39.78 38.53 1su7 n ASN 491 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1su7 h VAL 492 N 4.06 1.19 -0.89 2.41 2.07 -1.54 -0.94 116.25 122.59 1su7 h VAL 492 Ca 0.00 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1su7 h VAL 492 Cb 0.92 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1su7 h VAL 492 CO 0.00 0.20 0.59 0.44 0.02 0.00 0.00 177.57 178.81 1su7 h ASP 493 N 0.81 1.03 -0.47 0.57 3.32 -1.82 -0.00 116.42 119.85 1su7 h ASP 493 Ca 0.21 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 1su7 h ASP 493 Cb 0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1su7 h ASP 493 CO -0.04 0.75 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.08 1su7 h GLU 494 N 1.21 0.89 0.00 3.56 4.81 -1.79 -3.37 114.58 119.90 1su7 h GLU 494 Ca 0.33 -0.33 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 1su7 h GLU 494 Cb -0.13 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.14 1su7 h GLU 494 CO -0.07 0.97 -1.95 1.28 -0.73 0.00 0.00 179.01 178.51 1su7 n LEU 495 N -4.26 0.49 -4.85 1.64 4.77 -0.38 -4.98 117.00 109.43 1su7 n LEU 495 Ca 0.00 0.23 -0.34 0.00 -0.03 0.00 0.00 56.01 55.87 1su7 n LEU 495 Cb 0.37 0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 1su7 n LEU 495 CO 0.44 0.39 -0.19 0.00 -1.33 0.00 0.00 177.39 176.69 1su7 s GLY 497 N -1.61 1.68 0.27 0.00 0.00 -0.17 -4.65 107.32 102.83 1su7 s GLY 497 Ca 0.22 0.51 -0.04 0.00 0.00 0.00 0.00 44.72 45.42 1su7 s GLY 497 CO 0.13 0.94 1.93 -0.55 0.00 0.00 0.00 173.10 175.55 1su7 h ASP 498 N -1.85 1.06 -0.22 1.64 3.32 -1.91 0.14 116.42 118.60 1su7 h ASP 498 Ca -0.44 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 1su7 h ASP 498 Cb 1.27 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1su7 h ASP 498 CO 0.43 0.74 0.07 1.23 -1.72 0.00 0.00 179.24 179.99 1su7 h GLY 499 N 1.23 0.36 1.00 2.75 0.00 -1.91 -0.31 103.07 106.18 1su7 h GLY 499 Ca 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 1su7 h GLY 499 CO -0.10 0.19 0.27 -2.00 0.00 0.00 0.00 176.54 174.90 1su7 h LEU 500 N 0.18 0.85 -0.69 3.11 5.85 -1.09 -1.52 115.31 121.99 1su7 h LEU 500 Ca 0.07 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.69 1su7 h LEU 500 Cb 0.22 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1su7 h LEU 500 CO -0.00 0.77 0.40 0.50 -0.34 0.00 0.00 178.44 179.77 1su7 h LYS 501 N 0.87 0.72 -0.80 1.25 3.64 -0.57 0.22 116.57 121.90 1su7 h LYS 501 Ca 0.21 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1su7 h LYS 501 Cb 0.18 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 1su7 h LYS 501 CO -0.02 0.48 0.52 0.00 -2.27 0.00 0.00 179.45 178.15 1su7 h ALA 502 N 1.35 1.04 -0.08 5.00 0.00 -0.50 0.12 119.26 126.19 1su7 h ALA 502 Ca 0.31 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1su7 h ALA 502 Cb 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1su7 h ALA 502 CO -0.17 0.35 -0.18 0.28 0.00 0.00 0.00 179.25 179.53 1su7 h VAL 503 N 1.02 1.41 -0.29 0.00 2.07 -0.34 0.13 116.25 120.25 1su7 h VAL 503 Ca 0.31 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 1su7 h VAL 503 Cb -0.03 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1su7 h VAL 503 CO -0.10 0.43 0.12 -0.07 0.02 0.00 0.00 177.57 177.96 1su7 h LEU 504 N -0.22 0.36 -0.13 2.57 3.38 -0.42 -0.10 115.31 120.75 1su7 h LEU 504 Ca -0.00 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1su7 h LEU 504 Cb 0.78 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1su7 h LEU 504 CO 0.04 0.33 -0.33 0.74 0.09 0.00 0.00 178.44 179.31 1su7 h THR 505 N 0.41 1.37 -0.52 0.22 2.02 -0.66 0.14 112.91 115.89 1su7 h THR 505 Ca 0.10 -1.62 -0.00 0.00 0.77 0.00 0.00 66.41 65.66 1su7 h THR 505 Cb 0.08 2.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 1su7 h THR 505 CO -0.01 0.48 0.31 0.00 0.37 0.00 0.00 175.52 176.67 1su7 h ALA 506 N 0.52 0.66 -0.22 6.16 0.00 -0.34 0.42 119.26 126.46 1su7 h ALA 506 Ca -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1su7 h ALA 506 Cb 0.94 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1su7 h ALA 506 CO 0.07 0.15 0.01 0.82 0.00 0.00 0.00 179.25 180.30 1su7 h ILE 507 N 0.70 1.25 -0.41 0.00 2.04 -1.02 -1.82 117.51 118.25 1su7 h ILE 507 Ca 0.19 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1su7 h ILE 507 Cb -0.01 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1su7 h ILE 507 CO -0.03 0.26 0.21 1.23 0.00 0.00 0.00 178.15 179.82 1su7 h GLY 508 N 0.16 0.61 1.34 5.37 0.00 -0.71 -1.63 103.07 108.20 1su7 h GLY 508 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1su7 h GLY 508 CO 0.01 0.28 0.42 0.83 0.00 0.00 0.00 176.54 178.08 1su7 h GLU 509 N 0.52 0.88 0.00 4.80 5.08 -0.05 0.12 114.58 125.94 1su7 h GLU 509 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1su7 h GLU 509 Cb 0.08 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1su7 h GLU 509 CO -0.02 0.60 0.00 0.00 -1.00 0.00 0.00 179.01 178.59 1su7 h ALA 510 N 1.56 1.00 -0.61 3.43 0.00 -0.92 -1.38 119.26 122.34 1su7 h ALA 510 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1su7 h ALA 510 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1su7 h ALA 510 CO -0.05 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.29 1su7 n ASN 511 N -2.75 3.91 -0.04 0.00 4.13 -0.41 -4.89 115.26 115.21 1su7 n ASN 511 Ca 0.03 -2.22 -0.01 0.00 1.68 0.00 0.00 54.58 54.06 1su7 n ASN 511 Cb 0.37 -0.49 -0.00 0.00 -1.54 0.00 0.00 39.78 38.11 1su7 n ASN 511 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1su7 n GLY 512 N 1.26 0.47 0.26 7.41 0.00 -0.52 -4.93 105.19 109.14 1su7 n GLY 512 Ca 0.22 -0.22 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1su7 n GLY 512 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1su7 h LEU 513 N 0.00 0.00 0.27 0.99 3.38 -1.19 -3.46 115.31 115.31 1su7 h LEU 513 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1su7 h LEU 513 Cb 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1su7 h LEU 513 CO 0.02 0.00 -0.11 0.61 0.09 0.00 0.00 178.44 179.05 1su7 n GLY 514 N -0.14 0.76 0.00 0.83 0.00 -1.26 -4.85 105.19 100.53 1su7 n GLY 514 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1su7 n GLY 514 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1su7 n GLY 515 N -1.33 -0.85 3.87 -0.02 0.00 -1.26 -5.00 105.19 100.60 1su7 n GLY 515 Ca -0.06 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 1su7 n GLY 515 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1su7 s PRO 516 N -2.00 3.41 0.97 1.61 0.04 -1.26 -2.94 135.00 134.83 1su7 s PRO 516 Ca 0.00 0.72 -0.11 0.00 0.04 0.00 0.00 61.00 61.65 1su7 s PRO 516 Cb 0.00 -2.06 0.15 0.00 0.04 0.00 0.00 34.50 32.63 1su7 s PRO 516 CO 0.00 -0.70 0.99 1.28 0.04 0.00 0.00 177.00 178.61 1su7 n LEU 517 N -2.83 1.94 -4.71 -3.56 4.77 -0.60 -4.78 117.00 107.23 1su7 n LEU 517 Ca 0.06 0.30 -0.29 0.00 -0.03 0.00 0.00 56.01 56.05 1su7 n LEU 517 Cb 0.54 -1.39 0.16 0.00 -2.33 0.00 0.00 43.42 40.40 1su7 n LEU 517 CO 0.58 -2.57 0.66 -2.16 -1.33 0.00 0.00 177.39 172.57 1su7 s PRO 518 N -4.43 0.85 0.41 3.23 0.04 -1.26 -4.72 135.00 129.12 1su7 s PRO 518 Ca 0.65 0.61 0.08 0.00 0.04 0.00 0.00 61.00 62.39 1su7 s PRO 518 Cb -0.23 -1.78 0.85 0.00 0.04 0.00 0.00 34.50 33.38 1su7 s PRO 518 CO 0.61 -2.47 2.00 -1.35 0.04 0.00 0.00 177.00 175.84 1su7 h PRO 519 N -1.70 0.40 -5.11 0.56 0.11 -1.77 -3.41 132.00 121.07 1su7 h PRO 519 Ca -0.52 -0.05 -0.53 0.00 0.11 0.00 0.00 66.00 65.01 1su7 h PRO 519 Cb 1.31 -0.08 -0.31 0.00 0.11 0.00 0.00 31.00 32.03 1su7 h PRO 519 CO 0.57 0.35 -0.82 0.08 -0.21 0.00 0.00 178.00 177.97 1su7 s VAL 520 N -5.17 1.26 -0.27 3.15 1.01 -0.58 -4.47 120.40 115.32 1su7 s VAL 520 Ca -0.07 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 1su7 s VAL 520 Cb 0.17 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1su7 s VAL 520 CO 0.73 0.37 0.37 -0.76 0.00 0.00 0.00 175.10 175.81 1su7 s LEU 521 N 0.08 4.04 -0.44 3.92 1.43 -0.37 -4.63 118.68 122.72 1su7 s LEU 521 Ca -0.04 0.28 -0.28 0.00 -1.03 0.00 0.00 54.13 53.07 1su7 s LEU 521 Cb -0.11 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.72 1su7 s LEU 521 CO 0.02 -0.19 1.04 -2.28 0.23 0.00 0.00 176.35 175.17 1su7 s HIS 522 N 2.07 2.92 -2.69 0.29 5.65 -1.26 -1.15 115.29 121.12 1su7 s HIS 522 Ca 0.15 0.69 0.24 0.00 0.25 0.00 0.00 55.06 56.38 1su7 s HIS 522 Cb -0.16 -4.11 0.43 0.00 -1.18 0.00 0.00 32.58 27.56 1su7 s HIS 522 CO 0.10 -1.11 1.40 -1.33 -0.65 0.00 0.00 174.74 173.15 1su7 n MET 523 N 7.40 2.25 0.00 2.88 2.81 0.38 -1.29 117.12 131.55 1su7 n MET 523 Ca 0.10 -1.86 0.00 0.00 -1.81 0.00 0.00 57.70 54.13 1su7 n MET 523 Cb 0.48 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 1su7 n MET 523 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1su7 n GLY 524 N 1.36 0.40 3.77 3.03 0.00 -1.24 -4.68 105.19 107.83 1su7 n GLY 524 Ca 0.17 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 1su7 n GLY 524 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1su7 s SER 525 N -4.00 1.75 0.26 1.61 1.04 -1.26 -0.10 113.70 113.00 1su7 s SER 525 Ca 0.00 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.74 1su7 s SER 525 Cb 0.00 -0.33 0.34 0.00 0.10 0.00 0.00 66.02 66.13 1su7 s SER 525 CO 0.00 -3.58 1.69 0.00 0.98 0.00 0.00 173.24 172.33 1su7 h VAL 527 N 0.49 0.99 0.00 0.00 -1.51 -1.93 -0.05 116.25 114.24 1su7 h VAL 527 Ca 0.07 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1su7 h VAL 527 Cb 0.70 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 1su7 h VAL 527 CO 0.05 0.09 0.00 0.47 -1.23 0.00 0.00 177.57 176.95 1su7 n ASP 528 N -4.32 0.00 -0.00 4.19 10.43 -0.32 -0.77 116.55 125.76 1su7 n ASP 528 Ca -0.03 -0.95 0.22 0.00 2.57 0.00 0.00 54.79 56.60 1su7 n ASP 528 Cb 0.17 0.00 0.72 0.00 1.84 0.00 0.00 41.12 43.85 1su7 n ASP 528 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 1su7 h ASN 529 N 0.00 0.00 0.05 -2.24 2.35 -0.84 0.22 115.58 115.12 1su7 h ASN 529 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1su7 h ASN 529 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1su7 h ASN 529 CO 0.00 0.00 -0.02 0.77 -1.65 0.00 0.00 177.43 176.53 1su7 h SER 530 N 0.00 0.00 -0.33 5.81 4.64 -1.16 -0.98 113.55 121.52 1su7 h SER 530 Ca 0.26 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.46 1su7 h SER 530 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1su7 h SER 530 CO -0.00 0.02 -0.24 0.03 -0.87 0.00 0.00 176.83 175.77 1su7 h ARG 531 N 0.00 0.83 -0.69 4.77 3.08 -0.78 0.38 114.38 121.97 1su7 h ARG 531 Ca -0.00 -0.35 -0.07 0.00 0.07 0.00 0.00 59.98 59.63 1su7 h ARG 531 Cb 0.05 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1su7 h ARG 531 CO 0.00 0.98 0.16 0.00 -1.07 0.00 0.00 179.97 180.05 1su7 h ALA 532 N 1.01 0.98 -0.50 0.04 0.00 -1.22 -0.58 119.26 118.99 1su7 h ALA 532 Ca 0.09 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1su7 h ALA 532 Cb 0.77 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1su7 h ALA 532 CO 0.06 0.66 0.33 0.28 0.00 0.00 0.00 179.25 180.58 1su7 h VAL 533 N 1.05 1.11 -0.68 0.00 2.07 -0.86 0.14 116.25 119.09 1su7 h VAL 533 Ca 0.22 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1su7 h VAL 533 Cb 0.37 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1su7 h VAL 533 CO 0.00 0.12 0.38 0.00 0.02 0.00 0.00 177.57 178.10 1su7 h ALA 534 N 1.19 0.90 -0.19 1.67 0.00 -0.27 0.28 119.26 122.84 1su7 h ALA 534 Ca 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1su7 h ALA 534 Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1su7 h ALA 534 CO -0.05 0.08 0.06 1.25 0.00 0.00 0.00 179.25 180.59 1su7 h LEU 535 N 0.72 0.27 -0.58 0.00 5.85 -0.65 -0.39 115.31 120.52 1su7 h LEU 535 Ca 0.30 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 1su7 h LEU 535 Cb 0.16 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1su7 h LEU 535 CO -0.17 0.39 -0.03 0.58 -0.34 0.00 0.00 178.44 178.88 1su7 h VAL 536 N 0.13 1.27 -0.53 1.05 2.07 -0.63 -0.22 116.25 119.39 1su7 h VAL 536 Ca 0.06 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 1su7 h VAL 536 Cb 0.22 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1su7 h VAL 536 CO -0.00 0.42 0.09 0.00 0.02 0.00 0.00 177.57 178.10 1su7 h ALA 537 N 0.97 1.16 -0.63 1.67 0.00 -0.41 0.87 119.26 122.88 1su7 h ALA 537 Ca 0.16 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1su7 h ALA 537 Cb 0.59 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1su7 h ALA 537 CO 0.04 0.56 0.06 0.00 0.00 0.00 0.00 179.25 179.91 1su7 h ALA 538 N 1.30 0.85 -0.50 0.00 0.00 -0.51 0.74 119.26 121.13 1su7 h ALA 538 Ca 0.17 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1su7 h ALA 538 Cb 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1su7 h ALA 538 CO 0.01 0.64 0.15 -0.07 0.00 0.00 0.00 179.25 179.98 1su7 h LEU 539 N 0.99 0.74 -0.29 0.00 3.38 -0.54 0.05 115.31 119.63 1su7 h LEU 539 Ca 0.19 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1su7 h LEU 539 Cb 0.49 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1su7 h LEU 539 CO 0.02 0.76 0.18 0.00 0.09 0.00 0.00 178.44 179.48 1su7 h ALA 540 N 1.01 0.37 -0.58 1.53 0.00 -0.54 -0.95 119.26 120.09 1su7 h ALA 540 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1su7 h ALA 540 Cb 0.29 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1su7 h ALA 540 CO -0.00 -0.19 0.34 -0.91 0.00 0.00 0.00 179.25 178.49 1su7 h ASN 541 N 0.36 0.71 -0.49 0.00 -0.26 -0.68 0.19 115.58 115.42 1su7 h ASN 541 Ca 0.11 -0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.77 1su7 h ASN 541 Cb -0.01 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.04 1su7 h ASN 541 CO -0.05 0.57 0.26 -0.09 -1.06 0.00 0.00 177.43 177.06 1su7 h ARG 542 N 0.79 0.72 0.00 0.81 9.65 -0.60 -2.46 114.38 123.30 1su7 h ARG 542 Ca 0.21 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1su7 h ARG 542 Cb 0.00 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.44 1su7 h ARG 542 CO -0.04 0.56 -0.50 1.28 2.80 0.00 0.00 179.97 184.07 1su7 n LEU 543 N -4.38 0.58 -1.50 3.80 4.77 -0.39 -4.96 117.00 114.91 1su7 n LEU 543 Ca 0.04 0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1su7 n LEU 543 Cb 0.12 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1su7 n LEU 543 CO 0.37 0.00 -0.08 0.61 -1.33 0.00 0.00 177.39 176.96 1su7 n GLY 544 N 1.40 -0.05 3.27 -0.72 0.00 0.60 -5.03 105.19 104.67 1su7 n GLY 544 Ca 0.04 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 1su7 n GLY 544 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1su7 s VAL 545 N -2.71 0.96 0.75 1.61 -7.23 -0.74 -5.04 120.40 108.01 1su7 s VAL 545 Ca 0.07 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.10 1su7 s VAL 545 Cb -0.03 -2.10 0.04 0.00 0.56 0.00 0.00 36.38 34.86 1su7 s VAL 545 CO 0.09 -0.52 1.13 -0.62 -0.31 0.00 0.00 175.10 174.86 1su7 s ASP 546 N -3.21 5.01 0.47 4.85 3.68 -1.26 -4.35 116.67 121.86 1su7 s ASP 546 Ca 0.23 0.94 0.18 0.00 2.13 0.00 0.00 52.55 56.03 1su7 s ASP 546 Cb 0.05 -1.60 1.12 0.00 -1.45 0.00 0.00 42.92 41.03 1su7 s ASP 546 CO 0.04 -1.59 2.01 -0.07 0.13 0.00 0.00 175.17 175.70 1su7 h LEU 547 N -0.82 0.00 0.00 -1.34 4.07 -1.92 -1.05 115.31 114.25 1su7 h LEU 547 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1su7 h LEU 547 Cb 1.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.03 1su7 h LEU 547 CO 0.65 0.17 0.00 -0.90 -1.08 0.00 0.00 178.44 177.27 1su7 n ASP 548 N -4.15 0.00 -0.48 -0.43 5.75 -1.25 -1.79 116.55 114.19 1su7 n ASP 548 Ca -0.02 -1.64 0.08 0.00 -0.01 0.00 0.00 54.79 53.20 1su7 n ASP 548 Cb 0.24 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.36 1su7 n ASP 548 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1su7 n ARG 549 N -0.63 1.55 -3.18 0.11 1.74 -0.40 -4.98 116.66 110.87 1su7 n ARG 549 Ca 0.06 -1.07 -0.34 0.00 -0.77 0.00 0.00 57.85 55.73 1su7 n ARG 549 Cb 0.03 -1.28 -0.06 0.00 -1.02 0.00 0.00 32.46 30.12 1su7 n ARG 549 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1su7 s LEU 550 N -1.76 4.18 -1.49 0.55 1.43 -0.74 -4.76 118.68 116.08 1su7 s LEU 550 Ca 0.16 1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 54.39 1su7 s LEU 550 Cb 0.13 -3.82 0.02 0.00 0.03 0.00 0.00 46.19 42.55 1su7 s LEU 550 CO 0.32 -0.10 2.41 -0.81 0.23 0.00 0.00 176.35 178.41 1su7 n PRO 551 N 0.06 3.25 -4.34 1.29 -0.04 -1.26 -4.83 135.00 129.13 1su7 n PRO 551 Ca 0.01 -2.61 -0.20 0.00 -0.04 0.00 0.00 63.50 60.65 1su7 n PRO 551 Cb 0.52 -3.09 -0.16 0.00 -0.04 0.00 0.00 33.50 30.74 1su7 n PRO 551 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1su7 s VAL 552 N 2.45 0.73 0.25 0.52 1.01 -1.26 -0.70 120.40 123.40 1su7 s VAL 552 Ca 0.53 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1su7 s VAL 552 Cb 0.15 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 1su7 s VAL 552 CO -0.07 0.25 0.08 0.68 0.00 0.00 0.00 175.10 176.03 1su7 s VAL 553 N 0.45 0.61 0.10 2.92 -7.23 -0.10 -4.27 120.40 112.88 1su7 s VAL 553 Ca -0.07 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.15 1su7 s VAL 553 Cb -0.11 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1su7 s VAL 553 CO 0.01 -0.08 -0.13 0.00 -0.31 0.00 0.00 175.10 174.59 1su7 s ALA 554 N -3.72 1.29 -0.14 1.32 0.00 -0.48 -1.17 121.76 118.87 1su7 s ALA 554 Ca 0.36 -1.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 1su7 s ALA 554 Cb 0.08 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.22 1su7 s ALA 554 CO 0.12 0.06 0.13 0.45 0.00 0.00 0.00 175.76 176.53 1su7 s SER 555 N -2.31 1.61 -1.17 0.00 0.15 0.70 0.31 113.70 112.99 1su7 s SER 555 Ca 0.05 -0.23 -0.09 0.00 0.70 0.00 0.00 55.95 56.38 1su7 s SER 555 Cb -0.05 0.04 0.23 0.00 -1.71 0.00 0.00 66.02 64.53 1su7 s SER 555 CO 0.02 -0.31 1.47 0.00 1.20 0.00 0.00 173.24 175.61 1su7 n ALA 556 N 5.30 4.63 0.28 5.45 0.00 0.58 -1.34 120.51 135.41 1su7 n ALA 556 Ca -0.06 -4.51 0.17 0.00 0.00 0.00 0.00 53.44 49.04 1su7 n ALA 556 Cb 0.49 -2.71 0.69 0.00 0.00 0.00 0.00 19.45 17.93 1su7 n ALA 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1su7 h ALA 557 N 6.27 1.01 -0.47 0.00 0.00 -1.79 -1.91 119.26 122.37 1su7 h ALA 557 Ca 0.27 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.90 1su7 h ALA 557 Cb 0.75 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.14 1su7 h ALA 557 CO 1.29 0.03 -1.11 0.39 0.00 0.00 0.00 179.25 179.86 1su7 n GLU 558 N -3.13 1.82 -1.69 0.00 1.02 -1.25 -3.65 120.64 113.75 1su7 n GLU 558 Ca 0.00 -3.54 -0.37 0.00 -0.02 0.00 0.00 57.16 53.23 1su7 n GLU 558 Cb 0.30 -1.63 0.06 0.00 -0.02 0.00 0.00 31.44 30.15 1su7 n GLU 558 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1su7 n ALA 559 N -0.58 0.86 0.11 0.62 0.00 -1.21 -2.74 120.51 117.56 1su7 n ALA 559 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1su7 n ALA 559 Cb 0.81 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1su7 n ALA 559 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1su7 n MET 560 N -1.60 0.00 -2.03 0.00 0.00 -1.26 -4.70 117.12 107.53 1su7 n MET 560 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.53 1su7 n MET 560 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 33.22 33.60 1su7 n MET 560 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1su7 s HIS 561 N -2.00 3.39 0.39 1.12 2.46 -1.26 -4.90 115.29 114.48 1su7 s HIS 561 Ca 0.00 1.41 0.13 0.00 0.47 0.00 0.00 55.06 57.06 1su7 s HIS 561 Cb 0.00 -2.81 0.94 0.00 -0.13 0.00 0.00 32.58 30.58 1su7 s HIS 561 CO 0.00 -0.73 1.87 0.93 -2.47 0.00 0.00 174.74 174.34 1su7 h GLU 562 N 0.16 0.54 -0.78 2.88 5.08 -1.95 0.81 114.58 121.31 1su7 h GLU 562 Ca -0.45 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 57.94 1su7 h GLU 562 Cb 1.20 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 1su7 h GLU 562 CO 0.60 0.36 0.51 0.87 -1.00 0.00 0.00 179.01 180.35 1su7 h LYS 563 N 0.55 0.81 -0.13 2.33 1.57 -1.83 -0.45 116.57 119.43 1su7 h LYS 563 Ca 0.45 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 59.05 1su7 h LYS 563 Cb 0.90 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1su7 h LYS 563 CO -0.19 0.54 -0.50 0.00 -0.57 0.00 0.00 179.45 178.72 1su7 h ALA 564 N 1.58 0.90 -0.55 3.86 0.00 -1.20 -0.54 119.26 123.31 1su7 h ALA 564 Ca 0.34 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1su7 h ALA 564 Cb 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1su7 h ALA 564 CO -0.12 0.66 0.20 0.28 0.00 0.00 0.00 179.25 180.27 1su7 h VAL 565 N 0.27 1.23 -0.47 0.00 2.07 -0.89 -0.18 116.25 118.28 1su7 h VAL 565 Ca 0.01 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1su7 h VAL 565 Cb 0.98 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1su7 h VAL 565 CO 0.08 0.28 0.24 0.00 0.02 0.00 0.00 177.57 178.20 1su7 h ALA 566 N 1.05 0.60 -0.50 1.67 0.00 -0.76 -0.63 119.26 120.70 1su7 h ALA 566 Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1su7 h ALA 566 Cb 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1su7 h ALA 566 CO -0.01 0.15 0.23 0.82 0.00 0.00 0.00 179.25 180.44 1su7 h ILE 567 N 0.62 1.20 -1.00 0.00 2.04 -0.89 -0.23 117.51 119.24 1su7 h ILE 567 Ca 0.16 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1su7 h ILE 567 Cb 0.09 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1su7 h ILE 567 CO -0.02 0.22 0.66 1.23 0.00 0.00 0.00 178.15 180.24 1su7 h GLY 568 N 0.66 1.41 1.19 5.37 0.00 -0.85 0.61 103.07 111.45 1su7 h GLY 568 Ca 0.17 -0.52 -0.16 0.00 0.00 0.00 0.00 47.33 46.83 1su7 h GLY 568 CO -0.02 0.50 -0.38 -0.84 0.00 0.00 0.00 176.54 175.80 1su7 h THR 569 N 1.34 1.27 0.00 4.70 2.02 -0.61 -1.58 112.91 120.05 1su7 h THR 569 Ca 0.37 -1.55 -0.09 0.00 0.77 0.00 0.00 66.41 65.90 1su7 h THR 569 Cb -0.13 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1su7 h THR 569 CO -0.09 0.52 -0.44 4.11 0.37 0.00 0.00 175.52 179.99 1su7 h TRP 570 N 0.73 0.00 -0.50 3.16 5.08 -0.59 -0.20 115.95 123.64 1su7 h TRP 570 Ca 0.06 0.00 0.03 0.00 1.08 0.00 0.00 58.89 60.06 1su7 h TRP 570 Cb 0.96 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.09 1su7 h TRP 570 CO 0.06 0.44 0.28 0.00 -1.28 0.00 0.00 178.44 177.94 1su7 h ALA 571 N 1.56 0.63 -0.75 0.11 0.00 -0.51 0.18 119.26 120.49 1su7 h ALA 571 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1su7 h ALA 571 Cb 1.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1su7 h ALA 571 CO 0.06 -0.04 0.32 0.28 0.00 0.00 0.00 179.25 179.87 1su7 h VAL 572 N 0.55 1.25 -0.23 0.00 2.07 -1.00 -0.28 116.25 118.62 1su7 h VAL 572 Ca 0.21 -0.74 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 1su7 h VAL 572 Cb 0.06 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1su7 h VAL 572 CO -0.11 0.31 -0.31 0.74 0.02 0.00 0.00 177.57 178.21 1su7 h THR 573 N 1.06 1.28 -0.00 2.57 2.02 -0.08 -1.63 112.91 118.13 1su7 h THR 573 Ca 0.25 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 66.06 1su7 h THR 573 Cb 0.17 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1su7 h THR 573 CO -0.03 0.43 -0.05 2.30 0.37 0.00 0.00 175.52 178.55 1su7 n ILE 574 N -4.09 0.00 0.00 3.11 -5.35 0.53 -4.83 119.36 108.74 1su7 n ILE 574 Ca -0.01 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 1su7 n ILE 574 Cb 0.44 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 1su7 n ILE 574 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1su7 n GLY 575 N 1.19 1.61 3.88 3.28 0.00 -0.62 -4.45 105.19 110.09 1su7 n GLY 575 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1su7 n GLY 575 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1su7 s LEU 576 N 0.00 4.34 0.10 0.99 1.43 -0.14 -3.65 118.68 121.75 1su7 s LEU 576 Ca 0.00 0.39 -0.31 0.00 -1.03 0.00 0.00 54.13 53.18 1su7 s LEU 576 Cb 0.00 -2.34 -0.08 0.00 0.03 0.00 0.00 46.19 43.80 1su7 s LEU 576 CO 0.00 0.33 1.51 -2.84 0.23 0.00 0.00 176.35 175.59 1su7 s PRO 577 N -1.49 4.25 -0.20 1.29 0.02 -1.26 -2.41 135.00 135.20 1su7 s PRO 577 Ca 0.21 2.22 -0.02 0.00 0.02 0.00 0.00 61.00 63.43 1su7 s PRO 577 Cb -0.12 -3.35 0.06 0.00 0.02 0.00 0.00 34.50 31.11 1su7 s PRO 577 CO 0.11 -0.58 0.00 0.99 -0.33 0.00 0.00 177.00 177.20 1su7 s THR 578 N 1.66 0.84 0.24 0.99 2.01 0.33 -1.38 115.64 120.34 1su7 s THR 578 Ca 0.69 -0.72 -0.26 0.00 0.31 0.00 0.00 61.69 61.70 1su7 s THR 578 Cb -0.39 -1.24 -0.09 0.00 0.01 0.00 0.00 72.50 70.79 1su7 s THR 578 CO 0.31 -0.14 0.86 -2.28 -0.69 0.00 0.00 174.62 172.67 1su7 s HIS 579 N 1.72 3.81 -0.07 4.92 2.46 0.15 -0.08 115.29 128.20 1su7 s HIS 579 Ca -0.02 1.71 0.03 0.00 0.47 0.00 0.00 55.06 57.25 1su7 s HIS 579 Cb -0.17 -2.84 0.01 0.00 -0.13 0.00 0.00 32.58 29.44 1su7 s HIS 579 CO -0.07 0.37 -0.15 -1.50 -2.47 0.00 0.00 174.74 170.92 1su7 s ILE 580 N -1.37 1.34 -2.20 0.89 2.07 -0.07 -0.31 121.20 121.55 1su7 s ILE 580 Ca 0.43 -0.61 0.22 0.00 -1.41 0.00 0.00 60.65 59.28 1su7 s ILE 580 Cb -0.21 -1.20 0.49 0.00 0.13 0.00 0.00 42.46 41.67 1su7 s ILE 580 CO 0.26 0.40 1.43 0.61 -1.91 0.00 0.00 174.94 175.73 1su7 n GLY 581 N 3.68 2.01 3.35 1.50 0.00 -0.72 -1.85 105.19 113.15 1su7 n GLY 581 Ca -0.22 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.88 1su7 n GLY 581 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1su7 s VAL 582 N -1.28 1.75 -0.18 1.61 1.01 -1.26 -4.45 120.40 117.61 1su7 s VAL 582 Ca 0.41 -2.21 -0.29 0.00 0.00 0.00 0.00 61.98 59.89 1su7 s VAL 582 Cb 0.23 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1su7 s VAL 582 CO 0.31 -0.59 1.02 -0.76 0.00 0.00 0.00 175.10 175.09 1su7 s LEU 583 N -3.31 4.16 0.59 3.92 1.43 -1.26 -4.88 118.68 119.34 1su7 s LEU 583 Ca 0.22 1.44 -0.08 0.00 -1.03 0.00 0.00 54.13 54.69 1su7 s LEU 583 Cb -0.01 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.66 1su7 s LEU 583 CO 0.07 -0.57 0.93 -2.16 0.23 0.00 0.00 176.35 174.85 1su7 s PRO 584 N 2.69 3.15 -1.43 1.29 0.04 -1.26 -4.91 135.00 134.57 1su7 s PRO 584 Ca 0.46 0.25 -0.11 0.00 0.04 0.00 0.00 61.00 61.63 1su7 s PRO 584 Cb -0.16 -2.22 0.06 0.00 0.04 0.00 0.00 34.50 32.21 1su7 s PRO 584 CO 0.11 -0.63 2.29 -0.35 0.04 0.00 0.00 177.00 178.46 1su7 n PRO 585 N -2.62 3.36 0.00 0.56 -0.05 -1.26 -3.94 135.00 131.05 1su7 n PRO 585 Ca 0.04 -2.84 0.00 0.00 -0.05 0.00 0.00 63.50 60.65 1su7 n PRO 585 Cb 0.56 -3.05 0.00 0.00 -0.05 0.00 0.00 33.50 30.97 1su7 n PRO 585 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 175.50 175.89 1su7 n ILE 586 N 4.07 0.00 0.35 0.52 -5.35 -1.23 -3.68 119.36 114.03 1su7 n ILE 586 Ca 0.55 -0.33 0.14 0.00 -0.27 0.00 0.00 62.75 62.84 1su7 n ILE 586 Cb 0.34 1.05 0.58 0.00 -1.74 0.00 0.00 39.64 39.87 1su7 n ILE 586 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1su7 h THR 587 N 0.05 0.00 0.00 7.28 1.35 -1.67 -1.09 112.91 118.83 1su7 h THR 587 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1su7 h THR 587 Cb 0.03 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1su7 h THR 587 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1su7 n GLY 588 N -0.02 -0.96 2.81 5.82 0.00 0.55 -4.47 105.19 108.92 1su7 n GLY 588 Ca 0.01 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1su7 n GLY 588 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1su7 s SER 589 N -2.47 2.72 0.12 1.61 0.15 -0.41 -4.86 113.70 110.56 1su7 s SER 589 Ca 0.23 -0.66 -0.15 0.00 0.70 0.00 0.00 55.95 56.07 1su7 s SER 589 Cb 0.15 -0.72 -0.03 0.00 -1.71 0.00 0.00 66.02 63.71 1su7 s SER 589 CO 0.32 -0.24 1.56 0.25 1.20 0.00 0.00 173.24 176.34 1su7 h LEU 590 N 8.19 0.67 -0.96 3.45 5.85 -1.81 -0.89 115.31 129.80 1su7 h LEU 590 Ca -0.20 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.27 1su7 h LEU 590 Cb 1.11 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1su7 h LEU 590 CO 0.35 0.81 0.62 -0.65 -0.34 0.00 0.00 178.44 179.24 1su7 h PRO 591 N 0.50 1.12 -0.39 5.25 0.11 -1.94 0.30 132.00 136.94 1su7 h PRO 591 Ca 0.11 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.06 1su7 h PRO 591 Cb 0.48 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1su7 h PRO 591 CO 0.02 0.74 -0.09 0.28 -0.21 0.00 0.00 178.00 178.74 1su7 h VAL 592 N 1.16 1.27 -0.64 3.15 2.07 -1.85 -1.27 116.25 120.14 1su7 h VAL 592 Ca 0.40 -1.18 0.03 0.00 0.82 0.00 0.00 66.70 66.78 1su7 h VAL 592 Cb 0.10 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1su7 h VAL 592 CO -0.15 0.39 0.39 0.74 0.02 0.00 0.00 177.57 178.96 1su7 h THR 593 N 0.57 1.07 -0.58 2.57 2.02 -0.35 -0.83 112.91 117.38 1su7 h THR 593 Ca 0.10 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 1su7 h THR 593 Cb 0.61 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1su7 h THR 593 CO 0.04 0.14 0.15 1.56 0.37 0.00 0.00 175.52 177.78 1su7 h GLN 594 N 0.77 0.89 -0.01 6.66 4.20 -0.23 0.11 115.11 127.49 1su7 h GLN 594 Ca 0.26 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1su7 h GLN 594 Cb 0.03 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1su7 h GLN 594 CO -0.11 0.79 0.01 0.82 -0.67 0.00 0.00 178.83 179.66 1su7 h ILE 595 N 0.85 1.09 0.00 2.54 2.04 -0.60 -0.01 117.51 123.43 1su7 h ILE 595 Ca 0.19 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1su7 h ILE 595 Cb 0.29 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1su7 h ILE 595 CO -0.00 0.07 -0.10 -0.07 0.00 0.00 0.00 178.15 178.05 1su7 h LEU 596 N -0.08 0.00 -0.71 1.44 3.38 -0.71 0.44 115.31 119.07 1su7 h LEU 596 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1su7 h LEU 596 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1su7 h LEU 596 CO -0.00 0.10 -0.23 0.35 0.09 0.00 0.00 178.44 178.74 1su7 n THR 597 N -3.17 0.00 0.14 0.22 -2.24 -0.01 -1.11 114.28 108.11 1su7 n THR 597 Ca 0.02 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1su7 n THR 597 Cb 0.44 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1su7 n THR 597 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1su7 n SER 598 N -0.31 -1.28 0.16 3.42 2.88 -0.18 -4.67 113.62 113.64 1su7 n SER 598 Ca 0.04 0.52 0.13 0.00 -1.33 0.00 0.00 58.87 58.23 1su7 n SER 598 Cb 0.22 1.35 0.38 0.00 -0.75 0.00 0.00 64.21 65.41 1su7 n SER 598 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1su7 h SER 599 N 0.00 0.00 0.30 -3.46 4.64 -0.97 -0.95 113.55 113.11 1su7 h SER 599 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1su7 h SER 599 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1su7 h SER 599 CO 0.00 0.00 0.00 1.62 -0.87 0.00 0.00 176.83 177.58 1su7 h VAL 600 N 0.00 0.00 -0.63 0.95 3.04 -1.14 -0.10 116.25 118.37 1su7 h VAL 600 Ca 0.00 -0.14 0.08 0.00 -1.01 0.00 0.00 66.70 65.63 1su7 h VAL 600 Cb 0.73 1.04 -0.04 0.00 -2.01 0.00 0.00 31.29 31.01 1su7 h VAL 600 CO 0.00 0.00 0.42 0.11 -1.01 0.00 0.00 177.57 177.09 1su7 h LYS 601 N 0.00 0.53 0.00 4.17 1.57 -1.08 0.18 116.57 121.94 1su7 h LYS 601 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1su7 h LYS 601 Cb 0.15 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1su7 h LYS 601 CO 0.00 0.35 0.00 -0.25 -0.57 0.00 0.00 179.45 178.98 1su7 n ASP 602 N -4.48 0.00 -0.10 0.86 8.00 -0.05 -1.13 116.55 119.65 1su7 n ASP 602 Ca 0.10 0.42 -0.19 0.00 0.71 0.00 0.00 54.79 55.82 1su7 n ASP 602 Cb 0.29 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 40.86 1su7 n ASP 602 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1su7 n ILE 603 N -1.47 1.38 0.16 0.53 5.41 0.36 -4.83 119.36 120.90 1su7 n ILE 603 Ca 0.07 -0.15 0.02 0.00 1.00 0.00 0.00 62.75 63.69 1su7 n ILE 603 Cb 0.28 -1.98 -0.03 0.00 -0.71 0.00 0.00 39.64 37.20 1su7 n ILE 603 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1su7 n THR 604 N -4.17 0.00 0.00 1.39 -2.24 0.33 -4.91 114.28 104.68 1su7 n THR 604 Ca -0.35 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1su7 n THR 604 Cb 0.70 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 1su7 n THR 604 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1su7 n GLY 605 N 1.42 2.77 4.00 3.38 0.00 -0.29 -4.05 105.19 112.42 1su7 n GLY 605 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1su7 n GLY 605 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1su7 s GLY 606 N -1.75 1.75 -0.25 -0.02 0.00 -1.21 -4.65 107.32 101.19 1su7 s GLY 606 Ca 0.00 -1.83 -0.28 0.00 0.00 0.00 0.00 44.72 42.60 1su7 s GLY 606 CO 0.00 -1.22 1.23 -2.52 0.00 0.00 0.00 173.10 170.59 1su7 s TYR 607 N -3.19 -0.19 0.37 1.90 1.13 -1.01 -3.04 117.35 113.32 1su7 s TYR 607 Ca 0.68 0.38 -0.24 0.00 -1.41 0.00 0.00 57.07 56.47 1su7 s TYR 607 Cb -0.04 0.46 -0.10 0.00 -1.10 0.00 0.00 41.96 41.18 1su7 s TYR 607 CO 0.45 -0.15 0.97 -0.06 -2.51 0.00 0.00 175.55 174.25 1su7 s PHE 608 N -0.69 3.50 -0.31 -3.49 0.08 -0.27 -0.51 117.98 116.30 1su7 s PHE 608 Ca 0.05 1.71 0.04 0.00 0.12 0.00 0.00 56.93 58.84 1su7 s PHE 608 Cb -0.02 -2.94 0.08 0.00 -0.57 0.00 0.00 43.02 39.57 1su7 s PHE 608 CO -0.06 -0.04 -0.01 0.42 -0.10 0.00 0.00 175.22 175.43 1su7 s ILE 609 N -1.78 2.23 -0.27 0.64 1.01 0.89 -4.36 121.20 119.55 1su7 s ILE 609 Ca 0.55 -2.06 -0.21 0.00 0.00 0.00 0.00 60.65 58.93 1su7 s ILE 609 Cb -0.17 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 1su7 s ILE 609 CO 0.21 -0.37 0.67 -0.69 0.00 0.00 0.00 174.94 174.76 1su7 s VAL 610 N 0.98 4.94 -0.27 2.92 1.01 -1.26 -0.89 120.40 127.83 1su7 s VAL 610 Ca 0.03 1.15 -0.03 0.00 0.00 0.00 0.00 61.98 63.13 1su7 s VAL 610 Cb -0.19 -3.99 0.16 0.00 0.00 0.00 0.00 36.38 32.35 1su7 s VAL 610 CO -0.07 -0.04 0.53 -0.70 0.00 0.00 0.00 175.10 174.82 1su7 s GLU 611 N 2.61 0.49 0.40 2.72 2.56 -0.77 -4.97 118.70 121.73 1su7 s GLU 611 Ca 0.28 0.95 0.22 0.00 0.00 0.00 0.00 54.97 56.42 1su7 s GLU 611 Cb -0.15 0.31 0.27 0.00 2.00 0.00 0.00 34.13 36.56 1su7 s GLU 611 CO 0.09 -0.52 1.54 -0.07 -0.56 0.00 0.00 175.26 175.74 1su7 h LEU 612 N 8.07 0.00 -8.89 2.70 4.07 -1.80 -3.38 115.31 116.07 1su7 h LEU 612 Ca -0.21 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.15 1su7 h LEU 612 Cb 1.14 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.78 1su7 h LEU 612 CO 0.22 0.08 0.34 -0.62 -1.08 0.00 0.00 178.44 177.38 1su7 s ASP 613 N -6.19 6.61 0.30 -0.43 2.15 -1.26 -4.95 116.67 112.90 1su7 s ASP 613 Ca 0.06 0.57 0.08 0.00 0.43 0.00 0.00 52.55 53.68 1su7 s ASP 613 Cb 0.06 -2.39 0.48 0.00 -0.30 0.00 0.00 42.92 40.77 1su7 s ASP 613 CO 0.69 -0.60 1.71 1.55 -0.17 0.00 0.00 175.17 178.35 1su7 h PRO 614 N 8.18 0.19 -0.74 4.34 0.13 -1.93 0.16 132.00 142.32 1su7 h PRO 614 Ca -0.25 -0.09 -0.05 0.00 -0.87 0.00 0.00 66.00 64.74 1su7 h PRO 614 Cb 1.10 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 1su7 h PRO 614 CO 0.87 0.59 0.27 0.93 -0.23 0.00 0.00 178.00 180.43 1su7 h GLU 615 N 0.16 1.13 -0.37 0.86 5.08 -1.92 0.10 114.58 119.61 1su7 h GLU 615 Ca 0.01 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.04 1su7 h GLU 615 Cb 0.82 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1su7 h GLU 615 CO 0.06 0.94 -0.24 1.15 -1.00 0.00 0.00 179.01 179.92 1su7 h THR 616 N 1.08 1.27 -0.82 1.13 2.02 -1.83 -1.86 112.91 113.91 1su7 h THR 616 Ca 0.24 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1su7 h THR 616 Cb 0.25 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1su7 h THR 616 CO -0.02 0.45 0.53 0.00 0.37 0.00 0.00 175.52 176.85 1su7 h ALA 617 N 1.08 1.04 -0.68 6.16 0.00 -0.31 0.15 119.26 126.70 1su7 h ALA 617 Ca 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1su7 h ALA 617 Cb 0.75 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1su7 h ALA 617 CO 0.06 0.47 0.33 0.00 0.00 0.00 0.00 179.25 180.10 1su7 h ALA 618 N 1.29 0.87 -0.92 0.00 0.00 -0.42 0.22 119.26 120.31 1su7 h ALA 618 Ca 0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1su7 h ALA 618 Cb -0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 1su7 h ALA 618 CO -0.06 0.43 0.56 -0.44 0.00 0.00 0.00 179.25 179.74 1su7 h ASP 619 N 0.94 1.10 -0.21 0.00 3.32 -0.73 0.15 116.42 120.99 1su7 h ASP 619 Ca 0.23 -0.06 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 1su7 h ASP 619 Cb 0.11 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1su7 h ASP 619 CO -0.03 0.84 -0.43 0.11 -1.72 0.00 0.00 179.24 178.01 1su7 h LYS 620 N 1.26 0.77 -0.43 3.56 1.57 -0.31 0.20 116.57 123.19 1su7 h LYS 620 Ca 0.33 -0.42 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1su7 h LYS 620 Cb -0.06 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1su7 h LYS 620 CO -0.06 1.04 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.74 1su7 h LEU 621 N 0.62 0.79 -0.85 2.94 3.38 -0.27 -0.50 115.31 121.41 1su7 h LEU 621 Ca 0.04 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1su7 h LEU 621 Cb 0.99 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1su7 h LEU 621 CO 0.09 0.94 0.47 -0.07 0.09 0.00 0.00 178.44 179.97 1su7 h LEU 622 N 0.62 1.06 -1.04 1.67 3.38 -0.46 0.18 115.31 120.72 1su7 h LEU 622 Ca 0.12 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1su7 h LEU 622 Cb 0.56 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1su7 h LEU 622 CO 0.03 0.85 0.06 0.00 0.09 0.00 0.00 178.44 179.47 1su7 h ALA 623 N 1.25 1.22 -0.51 1.53 0.00 -0.31 0.14 119.26 122.58 1su7 h ALA 623 Ca 0.30 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1su7 h ALA 623 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1su7 h ALA 623 CO -0.05 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1su7 h ALA 624 N 1.35 0.69 -0.37 0.00 0.00 -0.57 0.98 119.26 121.34 1su7 h ALA 624 Ca 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1su7 h ALA 624 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1su7 h ALA 624 CO 0.01 0.50 0.21 0.82 0.00 0.00 0.00 179.25 180.79 1su7 h ILE 625 N 0.77 1.14 -0.08 0.00 2.04 -0.59 -2.05 117.51 118.73 1su7 h ILE 625 Ca 0.14 -0.34 -0.12 0.00 1.00 0.00 0.00 64.86 65.55 1su7 h ILE 625 Cb 0.52 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1su7 h ILE 625 CO 0.03 0.14 -0.48 0.78 0.00 0.00 0.00 178.15 178.61 1su7 h ASN 626 N 0.48 0.22 -0.74 1.72 2.35 -0.49 0.91 115.58 120.03 1su7 h ASN 626 Ca 0.13 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1su7 h ASN 626 Cb 0.04 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1su7 h ASN 626 CO -0.02 0.67 0.36 -0.33 -1.65 0.00 0.00 177.43 176.46 1su7 h GLU 627 N 0.17 1.07 -0.51 0.81 5.08 -0.60 0.19 114.58 120.78 1su7 h GLU 627 Ca 0.01 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1su7 h GLU 627 Cb 0.91 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1su7 h GLU 627 CO 0.07 0.83 0.13 0.00 -1.00 0.00 0.00 179.01 179.05 1su7 h ARG 628 N 1.04 0.81 -0.42 2.33 2.47 -0.64 -0.58 114.38 119.40 1su7 h ARG 628 Ca 0.25 -0.19 0.05 0.00 -1.26 0.00 0.00 59.98 58.83 1su7 h ARG 628 Cb 0.12 -0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 28.28 1su7 h ARG 628 CO -0.03 0.78 0.15 0.00 0.56 0.00 0.00 179.97 181.42 1su7 h ARG 629 N 0.71 0.30 -0.78 0.04 3.08 -0.30 -1.78 114.38 115.65 1su7 h ARG 629 Ca 0.16 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 1su7 h ARG 629 Cb 0.32 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1su7 h ARG 629 CO 0.00 0.20 0.39 0.00 -1.07 0.00 0.00 179.97 179.49 1su7 h ALA 630 N 1.27 1.21 0.00 0.04 0.00 -0.21 0.41 119.26 121.98 1su7 h ALA 630 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1su7 h ALA 630 Cb 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1su7 h ALA 630 CO -0.20 0.61 0.00 0.78 0.00 0.00 0.00 179.25 180.45 1su7 h GLY 631 N 1.14 0.00 -0.70 0.00 0.00 -0.39 0.35 103.07 103.48 1su7 h GLY 631 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1su7 h GLY 631 CO -0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.54 1su7 n LEU 632 N -2.87 1.60 0.00 3.11 4.77 -0.56 -4.92 117.00 118.13 1su7 n LEU 632 Ca 0.01 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1su7 n LEU 632 Cb 0.29 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1su7 n LEU 632 CO 0.25 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1su7 n GLY 633 N 1.14 0.43 3.91 -0.72 0.00 0.11 -5.02 105.19 105.04 1su7 n GLY 633 Ca 0.17 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 1su7 n GLY 633 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1su7 s LEU 634 N 0.00 4.28 0.76 0.99 1.43 0.03 -5.00 118.68 121.17 1su7 s LEU 634 Ca 0.00 0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 53.40 1su7 s LEU 634 Cb 0.00 -3.16 0.05 0.00 0.03 0.00 0.00 46.19 43.12 1su7 s LEU 634 CO 0.00 0.05 1.15 -2.84 0.23 0.00 0.00 176.35 174.95 1su7 s PRO 635 N -2.85 2.09 0.00 1.29 0.02 -1.26 -4.01 135.00 130.28 1su7 s PRO 635 Ca 0.38 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.94 1su7 s PRO 635 Cb -0.12 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1su7 s PRO 635 CO 0.27 -1.83 0.00 -2.67 -0.33 0.00 0.00 177.00 172.44