#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1su9 s ASP 40 N 0.00 6.79 -0.07 6.43 1.11 -1.26 -1.23 116.67 128.45 1su9 s ASP 40 Ca 0.00 2.52 -0.30 0.00 0.18 0.00 0.00 52.55 54.95 1su9 s ASP 40 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1su9 s ASP 40 CO 0.00 -0.60 1.31 0.00 1.18 0.00 0.00 175.17 177.06 1su9 s ALA 41 N 0.02 3.57 0.12 5.23 0.00 -0.92 -4.84 121.76 124.94 1su9 s ALA 41 Ca 0.58 0.68 -0.35 0.00 0.00 0.00 0.00 51.96 52.86 1su9 s ALA 41 Cb -0.39 -3.58 -0.16 0.00 0.00 0.00 0.00 23.12 18.99 1su9 s ALA 41 CO 0.41 -0.95 1.31 -2.30 0.00 0.00 0.00 175.76 174.22 1su9 n PRO 42 N 5.74 1.26 -2.28 0.00 -0.02 -1.26 -4.92 135.00 133.52 1su9 n PRO 42 Ca 0.13 0.45 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 1su9 n PRO 42 Cb 0.45 -2.06 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 1su9 n PRO 42 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1su9 s ASN 43 N 0.36 6.23 0.14 2.55 3.04 -1.26 -4.99 114.94 121.02 1su9 s ASN 43 Ca 0.80 1.72 -0.23 0.00 0.04 0.00 0.00 52.86 55.20 1su9 s ASN 43 Cb -0.89 -2.53 0.07 0.00 -1.54 0.00 0.00 41.25 36.36 1su9 s ASN 43 CO 0.48 -0.85 0.59 0.72 -3.04 0.00 0.00 177.10 174.99 1su9 s PHE 44 N -2.46 -0.52 -0.11 0.43 -0.12 -1.26 -5.00 117.98 108.95 1su9 s PHE 44 Ca 0.62 0.34 0.00 0.00 -0.05 0.00 0.00 56.93 57.84 1su9 s PHE 44 Cb -0.13 0.52 0.02 0.00 -0.63 0.00 0.00 43.02 42.80 1su9 s PHE 44 CO 0.32 -0.82 -0.09 0.08 -0.05 0.00 0.00 175.22 174.65 1su9 s VAL 45 N -3.59 1.09 0.06 -2.49 1.01 -1.26 -1.70 120.40 113.53 1su9 s VAL 45 Ca 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 1su9 s VAL 45 Cb -0.01 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 1su9 s VAL 45 CO -0.11 0.37 0.07 -0.76 0.00 0.00 0.00 175.10 174.67 1su9 s LEU 46 N 1.46 1.96 0.05 3.92 1.43 -0.40 -4.96 118.68 122.14 1su9 s LEU 46 Ca 0.01 -0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 52.21 1su9 s LEU 46 Cb -0.13 0.57 -0.06 0.00 0.03 0.00 0.00 46.19 46.60 1su9 s LEU 46 CO -0.06 -0.60 0.47 -1.61 0.23 0.00 0.00 176.35 174.78 1su9 s GLU 47 N -3.44 3.98 0.97 1.70 2.02 -1.26 -0.21 118.70 122.46 1su9 s GLU 47 Ca 0.02 0.48 -0.15 0.00 0.02 0.00 0.00 54.97 55.34 1su9 s GLU 47 Cb 0.04 -3.16 0.22 0.00 0.10 0.00 0.00 34.13 31.33 1su9 s GLU 47 CO -0.08 0.63 1.32 0.16 0.02 0.00 0.00 175.26 177.31 1su9 s ASP 48 N -1.26 2.97 0.00 -0.19 1.47 0.31 -1.53 116.67 118.44 1su9 s ASP 48 Ca 0.28 0.10 0.11 0.00 1.18 0.00 0.00 52.55 54.22 1su9 s ASP 48 Cb -0.17 -0.08 0.62 0.00 -0.34 0.00 0.00 42.92 42.96 1su9 s ASP 48 CO 0.16 -2.81 1.19 0.35 0.68 0.00 0.00 175.17 174.74 1su9 n THR 49 N -3.76 0.36 0.65 2.11 -2.24 -0.52 -1.12 114.28 109.77 1su9 n THR 49 Ca 0.17 0.09 0.08 0.00 -2.27 0.00 0.00 64.05 62.12 1su9 n THR 49 Cb 0.59 -0.91 0.07 0.00 -2.10 0.00 0.00 70.33 67.98 1su9 n THR 49 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1su9 n ASN 50 N -1.14 2.33 0.00 3.42 3.02 -1.26 -4.96 115.26 116.66 1su9 n ASN 50 Ca 0.07 -1.66 0.00 0.00 -0.03 0.00 0.00 54.58 52.96 1su9 n ASN 50 Cb 0.06 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1su9 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1su9 n GLY 51 N 0.89 0.74 3.75 7.41 0.00 -0.27 -5.05 105.19 112.65 1su9 n GLY 51 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1su9 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1su9 s LYS 52 N -0.45 4.54 -0.03 1.61 2.20 -1.26 -4.74 119.74 121.62 1su9 s LYS 52 Ca 0.00 1.14 -0.30 0.00 -0.36 0.00 0.00 55.97 56.45 1su9 s LYS 52 Cb 0.00 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 1su9 s LYS 52 CO 0.00 0.33 1.37 0.50 -0.36 0.00 0.00 175.35 177.20 1su9 s ARG 53 N -0.28 4.28 -0.16 4.03 3.52 -1.26 -0.53 118.95 128.55 1su9 s ARG 53 Ca 0.39 1.91 0.01 0.00 -0.13 0.00 0.00 55.73 57.90 1su9 s ARG 53 Cb -0.21 -3.61 0.02 0.00 -1.56 0.00 0.00 34.95 29.58 1su9 s ARG 53 CO 0.25 -0.58 -0.17 0.42 -0.81 0.00 0.00 175.30 174.41 1su9 s ILE 54 N 2.56 1.76 -0.17 4.11 1.01 0.71 -4.95 121.20 126.24 1su9 s ILE 54 Ca 0.62 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 1su9 s ILE 54 Cb -0.30 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 1su9 s ILE 54 CO 0.25 0.49 -0.08 -0.70 0.00 0.00 0.00 174.94 174.90 1su9 s GLU 55 N 1.34 3.44 0.20 2.79 2.12 -1.26 -1.27 118.70 126.05 1su9 s GLU 55 Ca 0.03 -0.63 -0.13 0.00 0.36 0.00 0.00 54.97 54.61 1su9 s GLU 55 Cb -0.13 -2.83 0.22 0.00 0.26 0.00 0.00 34.13 31.65 1su9 s GLU 55 CO -0.10 0.06 1.68 1.25 -0.54 0.00 0.00 175.26 177.61 1su9 h LEU 56 N 7.26 -0.21 -2.40 2.70 5.85 -1.71 -0.52 115.31 126.28 1su9 h LEU 56 Ca -0.33 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1su9 h LEU 56 Cb 1.19 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 1su9 h LEU 56 CO 0.59 -0.07 0.19 0.77 -0.34 0.00 0.00 178.44 179.57 1su9 h SER 57 N 0.13 0.00 0.72 1.25 4.64 -1.94 0.08 113.55 118.42 1su9 h SER 57 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1su9 h SER 57 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1su9 h SER 57 CO -0.44 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 175.99 1su9 n ASP 58 N -3.25 0.38 -1.00 4.97 8.00 -0.20 -2.64 116.55 122.81 1su9 n ASP 58 Ca -0.01 0.58 0.10 0.00 0.71 0.00 0.00 54.79 56.17 1su9 n ASP 58 Cb 0.27 -0.67 0.26 0.00 -0.02 0.00 0.00 41.12 40.96 1su9 n ASP 58 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1su9 n LEU 59 N -1.90 2.93 -4.70 0.64 4.77 0.01 -4.96 117.00 113.79 1su9 n LEU 59 Ca 0.03 -1.40 -0.39 0.00 -0.03 0.00 0.00 56.01 54.22 1su9 n LEU 59 Cb 0.23 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1su9 n LEU 59 CO 0.19 0.70 0.86 0.29 -1.33 0.00 0.00 177.39 178.10 1su9 n LYS 60 N 1.11 1.62 0.00 3.23 5.02 -1.08 -1.51 118.16 126.55 1su9 n LYS 60 Ca 0.19 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 57.07 1su9 n LYS 60 Cb 0.48 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 1su9 n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1su9 n GLY 61 N 0.88 3.17 3.67 0.72 0.00 -0.22 -5.03 105.19 108.38 1su9 n GLY 61 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1su9 n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1su9 s LYS 62 N -0.50 2.39 0.24 1.61 1.02 -0.57 -4.73 119.74 119.19 1su9 s LYS 62 Ca 0.00 -1.33 -0.22 0.00 0.02 0.00 0.00 55.97 54.45 1su9 s LYS 62 Cb 0.00 -2.24 -0.09 0.00 -0.52 0.00 0.00 37.83 34.98 1su9 s LYS 62 CO 0.00 0.38 0.78 0.20 -0.92 0.00 0.00 175.35 175.79 1su9 s GLY 63 N -3.59 2.69 -0.12 -3.33 0.00 -0.39 -3.54 107.32 99.04 1su9 s GLY 63 Ca 0.31 0.26 0.02 0.00 0.00 0.00 0.00 44.72 45.31 1su9 s GLY 63 CO 0.20 0.66 -0.17 0.14 0.00 0.00 0.00 173.10 173.94 1su9 s VAL 64 N -1.49 1.65 -0.86 1.40 1.01 0.24 -0.50 120.40 121.85 1su9 s VAL 64 Ca 0.43 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 1su9 s VAL 64 Cb -0.18 -1.50 0.20 0.00 0.00 0.00 0.00 36.38 34.91 1su9 s VAL 64 CO 0.22 0.47 0.85 0.12 0.00 0.00 0.00 175.10 176.76 1su9 s PHE 65 N 1.03 3.66 -0.54 5.22 2.19 0.24 -1.08 117.98 128.69 1su9 s PHE 65 Ca -0.05 -1.90 -0.22 0.00 0.33 0.00 0.00 56.93 55.09 1su9 s PHE 65 Cb -0.15 -3.91 0.05 0.00 -1.31 0.00 0.00 43.02 37.71 1su9 s PHE 65 CO -0.03 -1.09 0.81 -1.17 1.83 0.00 0.00 175.22 175.57 1su9 s LEU 66 N 0.60 4.52 -0.21 6.12 2.96 -0.60 -1.70 118.68 130.38 1su9 s LEU 66 Ca 0.21 -0.67 -0.04 0.00 -0.22 0.00 0.00 54.13 53.41 1su9 s LEU 66 Cb -0.09 -2.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.96 1su9 s LEU 66 CO -0.09 -1.11 -0.03 0.21 -1.32 0.00 0.00 176.35 174.01 1su9 s ASN 67 N 2.88 4.50 -0.16 3.68 3.84 -0.68 0.02 114.94 129.02 1su9 s ASN 67 Ca 0.23 -0.31 -0.12 0.00 0.21 0.00 0.00 52.86 52.87 1su9 s ASN 67 Cb -0.16 -1.77 -0.05 0.00 -0.55 0.00 0.00 41.25 38.73 1su9 s ASN 67 CO 0.15 0.03 0.24 -0.36 -2.79 0.00 0.00 177.10 174.36 1su9 s PHE 68 N 1.20 3.47 0.29 0.43 0.40 -0.08 0.89 117.98 124.58 1su9 s PHE 68 Ca 0.03 0.53 -0.12 0.00 -0.60 0.00 0.00 56.93 56.77 1su9 s PHE 68 Cb -0.14 -2.25 0.01 0.00 0.51 0.00 0.00 43.02 41.14 1su9 s PHE 68 CO -0.00 0.32 0.54 1.67 0.70 0.00 0.00 175.22 178.45 1su9 s TRP 69 N 0.22 0.44 0.03 0.36 1.48 -0.63 -2.57 118.94 118.28 1su9 s TRP 69 Ca 0.14 -0.82 -0.13 0.00 -1.06 0.00 0.00 56.10 54.23 1su9 s TRP 69 Cb -0.12 0.26 0.02 0.00 -1.16 0.00 0.00 33.47 32.46 1su9 s TRP 69 CO 0.03 -1.12 0.27 0.20 -4.06 0.00 0.00 176.95 172.27 1su9 s GLY 70 N -3.07 -0.09 0.33 3.67 0.00 -1.26 -0.85 107.32 106.05 1su9 s GLY 70 Ca 0.22 0.00 0.25 0.00 0.00 0.00 0.00 44.72 45.20 1su9 s GLY 70 CO 0.12 -0.20 1.76 -0.91 0.00 0.00 0.00 173.10 173.86 1su9 h THR 71 N 3.44 0.00 -0.00 0.90 1.35 -1.96 -1.62 112.91 115.03 1su9 h THR 71 Ca -0.31 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1su9 h THR 71 Cb 1.19 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1su9 h THR 71 CO 0.45 0.00 -0.01 -2.67 -0.25 0.00 0.00 175.52 173.04 1su9 n TRP 72 N -2.37 0.00 -3.04 4.73 2.14 -1.26 -4.58 117.44 113.07 1su9 n TRP 72 Ca 0.01 0.00 -0.45 0.00 2.07 0.00 0.00 57.50 59.13 1su9 n TRP 72 Cb 0.17 -0.03 -0.03 0.00 -0.81 0.00 0.00 31.31 30.60 1su9 n TRP 72 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1su9 h GLU 74 N 8.76 0.65 -0.07 0.00 4.39 -1.87 0.26 114.58 126.71 1su9 h GLU 74 Ca 0.02 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.70 1su9 h GLU 74 Cb 1.04 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1su9 h GLU 74 CO 1.04 0.43 0.11 -1.35 -1.16 0.00 0.00 179.01 178.09 1su9 h PRO 75 N 0.67 0.00 0.00 2.33 0.11 -1.96 -0.47 132.00 132.68 1su9 h PRO 75 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1su9 h PRO 75 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1su9 h PRO 75 CO -0.36 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.43 1su9 h LYS 77 N 0.00 0.00 0.02 0.00 1.57 -1.20 -0.62 116.57 116.34 1su9 h LYS 77 Ca 0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.38 1su9 h LYS 77 Cb 0.50 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 1su9 h LYS 77 CO 0.00 0.16 -2.35 1.17 -0.57 0.00 0.00 179.45 177.87 1su9 n LYS 78 N -3.34 0.64 0.09 3.15 4.81 -0.66 -4.45 118.16 118.38 1su9 n LYS 78 Ca 0.00 0.24 -0.05 0.00 -0.87 0.00 0.00 58.31 57.63 1su9 n LYS 78 Cb 0.38 -1.55 0.12 0.00 0.02 0.00 0.00 35.03 34.00 1su9 n LYS 78 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1su9 h GLU 79 N -0.41 0.23 -0.45 1.64 5.08 -0.76 -3.09 114.58 116.82 1su9 h GLU 79 Ca -0.59 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 57.58 1su9 h GLU 79 Cb 1.77 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.03 1su9 h GLU 79 CO -0.19 0.77 0.12 0.74 -1.00 0.00 0.00 179.01 179.45 1su9 h PHE 80 N 0.17 0.74 -0.57 4.33 -1.00 -1.34 0.71 116.94 119.98 1su9 h PHE 80 Ca -0.01 -0.08 -0.03 0.00 2.81 0.00 0.00 57.97 60.66 1su9 h PHE 80 Cb 1.12 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 40.44 1su9 h PHE 80 CO 0.02 0.67 0.23 -1.35 -1.61 0.00 0.00 178.31 176.28 1su9 h PRO 81 N 0.59 0.82 -0.33 1.51 0.11 -1.65 0.21 132.00 133.26 1su9 h PRO 81 Ca 0.14 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 1su9 h PRO 81 Cb 0.30 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1su9 h PRO 81 CO -0.00 0.67 0.12 1.88 -0.21 0.00 0.00 178.00 180.46 1su9 h TYR 82 N 0.81 0.50 -0.67 0.65 0.05 -1.35 -0.27 116.97 116.69 1su9 h TYR 82 Ca 0.19 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 1su9 h TYR 82 Cb 0.15 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1su9 h TYR 82 CO 0.01 0.48 0.41 0.52 -1.05 0.00 0.00 178.16 178.53 1su9 h MET 83 N 0.38 0.90 -0.63 4.88 2.86 -0.46 -1.05 114.93 121.80 1su9 h MET 83 Ca 0.11 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 1su9 h MET 83 Cb 0.20 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1su9 h MET 83 CO -0.01 0.64 0.16 0.00 1.06 0.00 0.00 176.91 178.76 1su9 h ALA 84 N 1.22 0.83 -0.50 6.32 0.00 -0.74 0.92 119.26 127.30 1su9 h ALA 84 Ca 0.24 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1su9 h ALA 84 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1su9 h ALA 84 CO -0.05 0.54 0.13 -0.97 0.00 0.00 0.00 179.25 178.90 1su9 h ASN 85 N 0.93 0.76 0.54 0.00 -1.24 -0.71 -2.70 115.58 113.16 1su9 h ASN 85 Ca 0.20 -0.23 -0.13 0.00 0.71 0.00 0.00 56.30 56.85 1su9 h ASN 85 Cb 0.35 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 1su9 h ASN 85 CO 0.00 0.79 -0.61 1.56 -1.29 0.00 0.00 177.43 177.87 1su9 h GLN 86 N 0.69 0.07 0.00 6.67 1.08 -1.05 -2.93 115.11 119.65 1su9 h GLN 86 Ca 0.16 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1su9 h GLN 86 Cb 0.32 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1su9 h GLN 86 CO 0.00 0.67 -0.11 -0.92 -0.95 0.00 0.00 178.83 177.52 1su9 h TYR 87 N 0.05 0.00 0.00 2.96 3.20 -0.52 -0.40 116.97 122.27 1su9 h TYR 87 Ca -0.01 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1su9 h TYR 87 Cb 1.10 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 1su9 h TYR 87 CO 0.01 0.11 -0.01 0.87 -1.64 0.00 0.00 178.16 177.49 1su9 h LYS 88 N 0.00 0.00 0.00 1.82 1.57 -1.29 -2.07 116.57 116.60 1su9 h LYS 88 Ca -0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 1su9 h LYS 88 Cb 0.25 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 1su9 h LYS 88 CO 0.01 0.01 -2.25 1.58 -0.57 0.00 0.00 179.45 178.24 1su9 n HIS 89 N -4.08 0.24 0.31 -1.35 -0.00 -0.29 -4.64 115.22 105.42 1su9 n HIS 89 Ca -0.03 0.10 0.15 0.00 0.46 0.00 0.00 57.72 58.41 1su9 n HIS 89 Cb 0.10 -1.02 0.54 0.00 -0.12 0.00 0.00 29.99 29.48 1su9 n HIS 89 CO 0.00 0.00 0.00 0.74 0.46 0.00 0.00 176.34 177.54 1su9 h PHE 90 N -0.98 0.00 -0.77 1.57 0.04 -1.19 -3.20 116.94 112.40 1su9 h PHE 90 Ca -0.62 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.16 1su9 h PHE 90 Cb 1.55 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.66 1su9 h PHE 90 CO -0.04 0.00 0.50 -0.22 -0.60 0.00 0.00 178.31 177.95 1su9 h LYS 91 N 0.00 0.99 -0.00 1.51 3.64 -1.51 0.20 116.57 121.40 1su9 h LYS 91 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1su9 h LYS 91 Cb 0.60 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1su9 h LYS 91 CO 0.00 0.65 0.00 -1.13 -2.27 0.00 0.00 179.45 176.70 1su9 n SER 92 N -4.57 0.03 -0.72 4.20 3.41 -1.21 -2.56 113.62 112.19 1su9 n SER 92 Ca 0.08 -1.46 0.08 0.00 -0.26 0.00 0.00 58.87 57.31 1su9 n SER 92 Cb 0.03 -0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.09 1su9 n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1su9 n GLN 93 N -0.75 1.66 -0.63 4.33 1.13 0.00 -4.97 117.38 118.15 1su9 n GLN 93 Ca 0.13 -1.68 0.00 0.00 -1.94 0.00 0.00 57.00 53.51 1su9 n GLN 93 Cb 0.06 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.08 1su9 n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1su9 n GLY 94 N 0.93 0.78 3.53 1.08 0.00 -1.06 -3.94 105.19 106.51 1su9 n GLY 94 Ca 0.11 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1su9 n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1su9 s VAL 95 N -2.00 3.98 0.05 1.61 1.01 -0.84 -1.26 120.40 122.95 1su9 s VAL 95 Ca 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.73 1su9 s VAL 95 Cb 0.00 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1su9 s VAL 95 CO 0.00 0.51 -0.22 -0.70 0.00 0.00 0.00 175.10 174.68 1su9 s GLU 96 N 0.18 1.90 -0.11 2.72 2.56 0.34 -4.05 118.70 122.24 1su9 s GLU 96 Ca -0.01 -1.07 -0.02 0.00 0.00 0.00 0.00 54.97 53.87 1su9 s GLU 96 Cb -0.14 -2.08 -0.03 0.00 2.00 0.00 0.00 34.13 33.89 1su9 s GLU 96 CO 0.03 0.52 -0.02 0.42 -0.56 0.00 0.00 175.26 175.65 1su9 s ILE 97 N -0.89 4.14 -0.33 -3.70 1.01 -1.26 -0.59 121.20 119.58 1su9 s ILE 97 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1su9 s ILE 97 Cb -0.10 -2.76 0.10 0.00 0.01 0.00 0.00 42.46 39.71 1su9 s ILE 97 CO 0.04 0.56 0.11 -0.69 0.00 0.00 0.00 174.94 174.96 1su9 s VAL 98 N -0.42 1.16 -0.55 2.92 1.01 -0.69 -3.89 120.40 119.94 1su9 s VAL 98 Ca 0.07 -1.68 -0.20 0.00 0.00 0.00 0.00 61.98 60.18 1su9 s VAL 98 Cb -0.12 -1.86 0.07 0.00 0.00 0.00 0.00 36.38 34.46 1su9 s VAL 98 CO 0.02 -0.69 0.71 0.00 0.00 0.00 0.00 175.10 175.14 1su9 s ALA 99 N 1.37 3.34 -0.47 5.51 0.00 -0.61 -1.68 121.76 129.22 1su9 s ALA 99 Ca 0.11 -1.82 -0.28 0.00 0.00 0.00 0.00 51.96 49.97 1su9 s ALA 99 Cb -0.18 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.48 1su9 s ALA 99 CO -0.20 -2.21 1.07 0.08 0.00 0.00 0.00 175.76 174.51 1su9 s VAL 100 N 2.92 4.29 0.07 0.00 1.01 0.26 -1.53 120.40 127.42 1su9 s VAL 100 Ca 0.16 1.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 1su9 s VAL 100 Cb -0.20 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.58 1su9 s VAL 100 CO 0.11 -0.95 1.00 0.21 0.00 0.00 0.00 175.10 175.47 1su9 s ASN 101 N 2.38 7.40 -0.85 3.32 3.84 -0.06 -1.60 114.94 129.37 1su9 s ASN 101 Ca 0.45 1.79 -0.21 0.00 0.21 0.00 0.00 52.86 55.10 1su9 s ASN 101 Cb -0.08 -2.58 0.10 0.00 -0.55 0.00 0.00 41.25 38.13 1su9 s ASN 101 CO 0.30 -0.19 1.13 -0.69 -2.79 0.00 0.00 177.10 174.86 1su9 s VAL 102 N 0.44 4.45 -0.23 -5.21 1.01 -0.03 -1.27 120.40 119.54 1su9 s VAL 102 Ca 0.50 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1su9 s VAL 102 Cb -0.24 -4.80 0.00 0.00 0.00 0.00 0.00 36.38 31.35 1su9 s VAL 102 CO 0.30 -1.57 0.00 0.61 0.00 0.00 0.00 175.10 174.44 1su9 n GLY 103 N 5.65 0.34 3.94 4.51 0.00 -0.18 -4.92 105.19 114.53 1su9 n GLY 103 Ca 0.16 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1su9 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1su9 s GLU 104 N -1.70 3.38 0.74 1.61 2.02 -1.26 -4.89 118.70 118.60 1su9 s GLU 104 Ca 0.00 -0.32 -0.13 0.00 0.02 0.00 0.00 54.97 54.54 1su9 s GLU 104 Cb 0.00 -2.60 0.04 0.00 0.10 0.00 0.00 34.13 31.67 1su9 s GLU 104 CO 0.00 0.00 1.14 -1.54 0.02 0.00 0.00 175.26 174.88 1su9 s SER 105 N -4.09 4.39 0.29 -0.19 1.04 -1.26 -4.86 113.70 109.03 1su9 s SER 105 Ca 0.43 2.11 -0.01 0.00 0.48 0.00 0.00 55.95 58.96 1su9 s SER 105 Cb -0.10 -2.56 0.47 0.00 0.10 0.00 0.00 66.02 63.93 1su9 s SER 105 CO 0.37 -2.12 1.93 0.50 0.98 0.00 0.00 173.24 174.91 1su9 h LYS 106 N -0.56 1.07 -0.21 4.02 3.64 -1.99 -1.85 116.57 120.70 1su9 h LYS 106 Ca -0.46 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 58.81 1su9 h LYS 106 Cb 1.26 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1su9 h LYS 106 CO 0.50 0.71 -0.07 0.82 -2.27 0.00 0.00 179.45 179.14 1su9 h ILE 107 N 1.10 1.29 -0.80 2.00 2.04 -1.98 0.84 117.51 122.00 1su9 h ILE 107 Ca 0.36 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1su9 h ILE 107 Cb 0.05 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1su9 h ILE 107 CO -0.11 0.33 0.50 0.00 0.00 0.00 0.00 178.15 178.87 1su9 h ALA 108 N 0.72 1.38 -0.16 1.87 0.00 -1.87 -0.16 119.26 121.04 1su9 h ALA 108 Ca 0.05 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1su9 h ALA 108 Cb 0.53 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1su9 h ALA 108 CO 0.02 0.55 -0.16 0.28 0.00 0.00 0.00 179.25 179.95 1su9 h VAL 109 N 1.10 1.34 -0.94 0.00 2.07 -1.21 -2.60 116.25 116.01 1su9 h VAL 109 Ca 0.29 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.50 1su9 h VAL 109 Cb -0.08 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1su9 h VAL 109 CO -0.06 0.39 0.62 -0.74 0.02 0.00 0.00 177.57 177.81 1su9 h HIS 110 N 0.03 1.18 -0.64 1.57 6.17 -0.40 -0.51 115.15 122.55 1su9 h HIS 110 Ca 0.03 0.03 -0.06 0.00 0.71 0.00 0.00 60.37 61.07 1su9 h HIS 110 Cb 0.70 -0.40 -0.03 0.00 2.52 0.00 0.00 27.41 30.20 1su9 h HIS 110 CO 0.08 0.73 0.15 -0.91 0.71 0.00 0.00 177.93 178.69 1su9 h ASN 111 N 1.26 0.97 -0.23 3.26 -0.26 -1.00 -1.58 115.58 118.00 1su9 h ASN 111 Ca 0.35 -0.24 -0.13 0.00 -0.56 0.00 0.00 56.30 55.73 1su9 h ASN 111 Cb -0.12 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 36.88 1su9 h ASN 111 CO -0.08 0.95 -0.31 0.15 -1.06 0.00 0.00 177.43 177.08 1su9 h PHE 112 N 0.94 0.85 -0.62 1.19 3.04 -1.01 -1.12 116.94 120.22 1su9 h PHE 112 Ca 0.20 -0.22 -0.04 0.00 3.98 0.00 0.00 57.97 61.88 1su9 h PHE 112 Cb 0.37 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.66 1su9 h PHE 112 CO 0.03 0.95 0.22 0.52 -2.02 0.00 0.00 178.31 178.01 1su9 h MET 113 N 0.62 0.94 -0.38 1.11 2.86 -0.87 -0.89 114.93 118.32 1su9 h MET 113 Ca 0.07 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 1su9 h MET 113 Cb 0.83 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1su9 h MET 113 CO 0.07 0.82 -0.19 -0.22 1.06 0.00 0.00 176.91 178.45 1su9 h LYS 114 N 0.87 0.80 -0.08 1.72 3.64 -1.15 -1.86 116.57 120.51 1su9 h LYS 114 Ca 0.20 -0.35 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 1su9 h LYS 114 Cb 0.25 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1su9 h LYS 114 CO -0.01 0.98 -0.44 0.77 -2.27 0.00 0.00 179.45 178.48 1su9 h SER 115 N 0.60 0.18 -0.56 4.20 0.02 -1.02 -3.31 113.55 113.66 1su9 h SER 115 Ca 0.08 -0.08 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 1su9 h SER 115 Cb 0.74 -0.05 -0.24 0.00 0.14 0.00 0.00 62.40 62.99 1su9 h SER 115 CO 0.06 0.60 -0.24 -1.22 -1.14 0.00 0.00 176.83 174.89 1su9 n TYR 116 N -4.01 1.91 -4.07 3.45 4.01 -0.36 -4.99 117.16 113.11 1su9 n TYR 116 Ca -0.02 -2.04 -0.33 0.00 -0.16 0.00 0.00 57.90 55.36 1su9 n TYR 116 Cb 0.49 -0.56 -0.00 0.00 -0.31 0.00 0.00 39.34 38.95 1su9 n TYR 116 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1su9 n GLY 117 N -0.95 -0.45 3.74 2.72 0.00 -1.12 -3.82 105.19 105.32 1su9 n GLY 117 Ca 0.40 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 1su9 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1su9 s VAL 118 N -3.35 3.41 -0.02 1.61 1.01 -0.72 -4.78 120.40 117.56 1su9 s VAL 118 Ca 0.64 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.86 1su9 s VAL 118 Cb -0.34 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.31 1su9 s VAL 118 CO 0.88 0.21 0.93 -0.46 0.00 0.00 0.00 175.10 176.66 1su9 n ASN 119 N 2.26 0.44 -4.47 3.32 6.94 -1.26 -4.91 115.26 117.58 1su9 n ASN 119 Ca 0.04 -1.98 -0.23 0.00 -0.02 0.00 0.00 54.58 52.39 1su9 n ASN 119 Cb 0.44 -0.19 -0.10 0.00 -2.36 0.00 0.00 39.78 37.57 1su9 n ASN 119 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1su9 s PHE 120 N -0.48 2.09 0.27 -2.53 -0.12 -1.26 -5.07 117.98 110.89 1su9 s PHE 120 Ca 0.05 -0.71 -0.30 0.00 -0.05 0.00 0.00 56.93 55.92 1su9 s PHE 120 Cb 0.04 -1.26 -0.11 0.00 -0.63 0.00 0.00 43.02 41.06 1su9 s PHE 120 CO 0.00 0.30 1.57 -2.14 -0.05 0.00 0.00 175.22 174.90 1su9 s PRO 121 N -3.73 4.16 -0.07 1.99 0.02 -1.25 -4.96 135.00 131.15 1su9 s PRO 121 Ca 0.32 2.51 0.02 0.00 0.02 0.00 0.00 61.00 63.86 1su9 s PRO 121 Cb 0.05 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 31.54 1su9 s PRO 121 CO 0.14 -0.59 -0.11 0.08 -0.33 0.00 0.00 177.00 176.19 1su9 s VAL 122 N 0.11 1.07 0.26 3.83 1.01 -1.26 -1.58 120.40 123.84 1su9 s VAL 122 Ca 0.63 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 62.29 1su9 s VAL 122 Cb -0.46 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1su9 s VAL 122 CO 0.45 0.34 -0.08 0.68 0.00 0.00 0.00 175.10 176.50 1su9 s VAL 123 N 0.81 3.10 -0.40 2.92 -7.23 -0.58 -1.43 120.40 117.58 1su9 s VAL 123 Ca -0.12 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 57.93 1su9 s VAL 123 Cb -0.15 -2.63 0.07 0.00 0.56 0.00 0.00 36.38 34.23 1su9 s VAL 123 CO 0.02 -0.34 0.23 -0.76 -0.31 0.00 0.00 175.10 173.94 1su9 s LEU 124 N -3.49 5.01 -1.31 1.32 1.43 -0.58 -0.88 118.68 120.18 1su9 s LEU 124 Ca 0.30 -1.44 -0.10 0.00 -1.03 0.00 0.00 54.13 51.87 1su9 s LEU 124 Cb -0.06 -1.97 0.15 0.00 0.03 0.00 0.00 46.19 44.34 1su9 s LEU 124 CO 0.18 -0.50 1.94 -0.67 0.23 0.00 0.00 176.35 177.53 1su9 n ASP 125 N 4.90 5.00 -0.32 2.29 2.03 -0.40 -4.58 116.55 125.48 1su9 n ASP 125 Ca -0.10 -3.08 0.19 0.00 0.52 0.00 0.00 54.79 52.32 1su9 n ASP 125 Cb 0.43 -1.50 0.39 0.00 -0.72 0.00 0.00 41.12 39.72 1su9 n ASP 125 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1su9 h THR 126 N 3.74 0.32 -0.35 5.18 1.35 -1.89 -0.20 112.91 121.05 1su9 h THR 126 Ca 0.43 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 66.19 1su9 h THR 126 Cb 0.62 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.04 1su9 h THR 126 CO 1.66 0.05 0.00 -0.90 -0.25 0.00 0.00 175.52 176.09 1su9 n ASP 127 N -5.12 3.44 -0.94 5.36 5.68 -1.26 -4.33 116.55 119.38 1su9 n ASP 127 Ca 0.27 -2.41 -0.12 0.00 -0.50 0.00 0.00 54.79 52.03 1su9 n ASP 127 Cb 0.84 -0.38 -0.05 0.00 -1.14 0.00 0.00 41.12 40.39 1su9 n ASP 127 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1su9 n ARG 128 N 0.21 -1.42 0.12 0.11 1.74 -0.64 -4.88 116.66 111.90 1su9 n ARG 128 Ca 0.16 0.91 -0.02 0.00 -0.77 0.00 0.00 57.85 58.14 1su9 n ARG 128 Cb 0.64 -5.19 0.21 0.00 -1.02 0.00 0.00 32.46 27.10 1su9 n ARG 128 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1su9 h GLN 129 N 0.04 0.15 -0.09 5.56 4.20 -1.94 -1.34 115.11 121.70 1su9 h GLN 129 Ca -0.25 -0.08 -0.24 0.00 0.06 0.00 0.00 58.65 58.14 1su9 h GLN 129 Cb 1.08 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.88 1su9 h GLN 129 CO 0.37 0.61 -0.88 0.28 -0.67 0.00 0.00 178.83 178.53 1su9 h VAL 130 N 0.12 1.28 -0.19 -0.54 2.07 -1.91 -1.23 116.25 115.85 1su9 h VAL 130 Ca 0.00 -2.08 0.04 0.00 0.82 0.00 0.00 66.70 65.48 1su9 h VAL 130 Cb 0.91 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 1su9 h VAL 130 CO 0.07 0.65 -0.03 0.25 0.02 0.00 0.00 177.57 178.54 1su9 h LEU 131 N 0.46 -0.13 -1.16 2.57 5.85 -1.91 -1.02 115.31 119.97 1su9 h LEU 131 Ca -0.09 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1su9 h LEU 131 Cb 1.52 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.62 1su9 h LEU 131 CO 0.18 -0.04 0.36 0.44 -0.34 0.00 0.00 178.44 179.04 1su9 h ASP 132 N 0.03 0.84 -0.37 1.25 3.32 -1.20 -1.55 116.42 118.74 1su9 h ASP 132 Ca 0.09 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1su9 h ASP 132 Cb 0.13 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1su9 h ASP 132 CO -0.18 0.69 0.05 0.00 -1.72 0.00 0.00 179.24 178.08 1su9 h ALA 133 N 1.45 1.24 -0.01 3.45 0.00 -0.52 -1.34 119.26 123.53 1su9 h ALA 133 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1su9 h ALA 133 Cb 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1su9 h ALA 133 CO -0.04 0.51 -0.07 0.66 0.00 0.00 0.00 179.25 180.32 1su9 n TYR 134 N -4.26 0.00 -3.80 0.00 4.02 -0.45 -4.93 117.16 107.74 1su9 n TYR 134 Ca 0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.67 1su9 n TYR 134 Cb 0.25 -0.10 0.02 0.00 -0.02 0.00 0.00 39.34 39.50 1su9 n TYR 134 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1su9 n ASP 135 N -0.71 -2.17 -4.71 7.72 2.03 -0.51 -4.94 116.55 113.26 1su9 n ASP 135 Ca 0.17 -0.83 -0.39 0.00 0.52 0.00 0.00 54.79 54.26 1su9 n ASP 135 Cb 0.26 -3.89 -0.05 0.00 -0.72 0.00 0.00 41.12 36.72 1su9 n ASP 135 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1su9 s VAL 136 N -3.59 5.07 -0.00 5.18 1.01 -1.05 -4.98 120.40 122.04 1su9 s VAL 136 Ca 0.21 1.33 -0.05 0.00 0.00 0.00 0.00 61.98 63.47 1su9 s VAL 136 Cb -0.10 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1su9 s VAL 136 CO 0.83 0.26 -0.09 -1.20 0.00 0.00 0.00 175.10 174.89 1su9 n SER 137 N 3.83 0.99 -4.75 3.32 7.64 -1.26 -4.86 113.62 118.53 1su9 n SER 137 Ca -0.02 0.15 -0.40 0.00 1.01 0.00 0.00 58.87 59.60 1su9 n SER 137 Cb 0.51 -0.40 -0.05 0.00 -1.01 0.00 0.00 64.21 63.27 1su9 n SER 137 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1su9 s PRO 138 N -1.93 4.69 -0.04 1.43 0.02 -1.26 -5.04 135.00 132.87 1su9 s PRO 138 Ca -0.08 1.71 0.06 0.00 0.02 0.00 0.00 61.00 62.71 1su9 s PRO 138 Cb 0.01 -3.23 -0.01 0.00 0.02 0.00 0.00 34.50 31.29 1su9 s PRO 138 CO 0.11 0.26 -0.21 -0.51 -0.33 0.00 0.00 177.00 176.32 1su9 s LEU 139 N -1.15 2.01 0.57 -5.54 1.43 -1.26 -3.70 118.68 111.05 1su9 s LEU 139 Ca 0.45 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 1su9 s LEU 139 Cb -0.30 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 1su9 s LEU 139 CO 0.37 0.23 0.99 -2.16 0.23 0.00 0.00 176.35 176.01 1su9 s PRO 140 N -0.25 3.68 -0.02 1.29 0.04 -1.26 -4.95 135.00 133.53 1su9 s PRO 140 Ca 0.01 0.74 0.02 0.00 0.04 0.00 0.00 61.00 61.81 1su9 s PRO 140 Cb -0.11 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1su9 s PRO 140 CO 0.01 -0.45 -0.06 0.99 0.04 0.00 0.00 177.00 177.53 1su9 s THR 141 N -2.98 0.54 -0.09 1.26 2.01 -1.06 -4.15 115.64 111.17 1su9 s THR 141 Ca 0.55 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.34 1su9 s THR 141 Cb -0.11 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 71.91 1su9 s THR 141 CO 0.47 0.18 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.48 1su9 s THR 142 N 0.16 1.83 -0.25 -0.82 2.01 0.63 -0.90 115.64 118.30 1su9 s THR 142 Ca -0.02 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 1su9 s THR 142 Cb -0.06 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1su9 s THR 142 CO -0.00 0.51 0.08 -0.36 -0.69 0.00 0.00 174.62 174.16 1su9 s PHE 143 N 0.34 3.12 -0.41 4.92 0.40 0.10 -0.23 117.98 126.22 1su9 s PHE 143 Ca -0.16 -0.30 -0.19 0.00 -0.60 0.00 0.00 56.93 55.68 1su9 s PHE 143 Cb -0.17 -2.24 0.02 0.00 0.51 0.00 0.00 43.02 41.14 1su9 s PHE 143 CO 0.07 -0.28 0.56 -0.51 0.70 0.00 0.00 175.22 175.76 1su9 s LEU 144 N 1.50 4.56 -0.17 -0.37 1.43 0.08 -1.55 118.68 124.16 1su9 s LEU 144 Ca 0.06 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 1su9 s LEU 144 Cb -0.15 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 1su9 s LEU 144 CO 0.04 -0.65 0.01 -0.63 0.23 0.00 0.00 176.35 175.36 1su9 s ILE 145 N 2.53 4.33 0.79 -0.59 1.01 -0.24 -0.25 121.20 128.78 1su9 s ILE 145 Ca 0.19 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 1su9 s ILE 145 Cb -0.15 -2.93 0.08 0.00 0.01 0.00 0.00 42.46 39.47 1su9 s ILE 145 CO 0.16 0.47 1.14 0.54 0.00 0.00 0.00 174.94 177.25 1su9 s ASN 146 N 0.40 4.49 0.65 3.58 6.03 -0.23 -0.59 114.94 129.28 1su9 s ASN 146 Ca -0.00 0.63 0.33 0.00 -1.03 0.00 0.00 52.86 52.78 1su9 s ASN 146 Cb -0.13 -1.13 1.78 0.00 -3.03 0.00 0.00 41.25 38.74 1su9 s ASN 146 CO 0.02 -1.88 2.03 -0.65 -2.03 0.00 0.00 177.10 174.59 1su9 h PRO 147 N -0.96 0.00 0.00 3.55 0.11 -1.75 0.26 132.00 133.21 1su9 h PRO 147 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1su9 h PRO 147 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1su9 h PRO 147 CO 0.62 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.80 1su9 n GLU 148 N -3.13 0.20 -0.48 1.05 4.71 -1.26 -1.05 120.64 120.67 1su9 n GLU 148 Ca -0.01 0.19 0.00 0.00 -0.01 0.00 0.00 57.16 57.33 1su9 n GLU 148 Cb 0.34 -1.74 0.00 0.00 -1.01 0.00 0.00 31.44 29.03 1su9 n GLU 148 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1su9 n GLY 149 N 1.22 0.73 3.85 0.62 0.00 0.90 -4.97 105.19 107.53 1su9 n GLY 149 Ca 0.06 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 1su9 n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1su9 s LYS 150 N -0.76 3.26 -0.16 1.61 -0.14 -1.25 -2.17 119.74 120.13 1su9 s LYS 150 Ca 0.00 -0.41 -0.29 0.00 -1.36 0.00 0.00 55.97 53.91 1su9 s LYS 150 Cb 0.00 -2.98 -0.00 0.00 -1.68 0.00 0.00 37.83 33.16 1su9 s LYS 150 CO 0.00 0.66 1.06 0.08 -0.76 0.00 0.00 175.35 176.39 1su9 s VAL 151 N -1.28 4.65 -0.36 3.17 1.01 -0.36 -1.06 120.40 126.16 1su9 s VAL 151 Ca 0.26 1.95 0.19 0.00 0.00 0.00 0.00 61.98 64.38 1su9 s VAL 151 Cb -0.12 -4.26 -0.25 0.00 0.00 0.00 0.00 36.38 31.75 1su9 s VAL 151 CO 0.17 -0.08 0.56 1.33 0.00 0.00 0.00 175.10 177.08 1su9 n VAL 152 N 4.95 0.00 -3.58 2.92 0.24 0.65 -4.23 118.33 119.28 1su9 n VAL 152 Ca 0.11 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 1su9 n VAL 152 Cb 0.47 0.45 -0.06 0.00 -1.47 0.00 0.00 33.84 33.23 1su9 n VAL 152 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1su9 s LYS 153 N -3.07 0.67 -0.14 7.34 2.20 -1.19 -5.01 119.74 120.54 1su9 s LYS 153 Ca -0.01 0.26 0.02 0.00 -0.36 0.00 0.00 55.97 55.87 1su9 s LYS 153 Cb 0.13 0.32 0.01 0.00 -1.51 0.00 0.00 37.83 36.78 1su9 s LYS 153 CO 0.77 -0.19 -0.19 0.08 -0.36 0.00 0.00 175.35 175.46 1su9 s VAL 154 N -0.89 1.83 -0.07 4.02 1.01 -1.26 -0.74 120.40 124.30 1su9 s VAL 154 Ca -0.03 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.17 1su9 s VAL 154 Cb -0.01 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 1su9 s VAL 154 CO 0.02 0.51 -0.21 -0.69 0.00 0.00 0.00 175.10 174.72 1su9 s VAL 155 N 1.03 2.37 0.10 2.92 1.01 0.67 -4.97 120.40 123.54 1su9 s VAL 155 Ca -0.03 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 1su9 s VAL 155 Cb -0.15 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1su9 s VAL 155 CO -0.05 0.56 0.01 0.28 0.00 0.00 0.00 175.10 175.91 1su9 s THR 156 N -0.10 0.22 0.00 3.92 -1.32 -1.26 -0.27 115.64 116.83 1su9 s THR 156 Ca -0.05 -1.88 0.00 0.00 -1.21 0.00 0.00 61.69 58.55 1su9 s THR 156 Cb -0.14 -1.85 0.00 0.00 -1.51 0.00 0.00 72.50 69.00 1su9 s THR 156 CO 0.04 -0.68 0.00 0.61 -2.21 0.00 0.00 174.62 172.39 1su9 n GLY 157 N -0.03 -0.69 3.63 6.08 0.00 -1.26 -4.93 105.19 108.00 1su9 n GLY 157 Ca -0.09 -1.71 -0.48 0.00 0.00 0.00 0.00 46.02 43.74 1su9 n GLY 157 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1su9 n THR 158 N -0.76 0.13 -4.35 2.61 -1.04 -1.26 -4.99 114.28 104.62 1su9 n THR 158 Ca 0.00 -0.03 -0.33 0.00 -2.04 0.00 0.00 64.05 61.65 1su9 n THR 158 Cb 0.00 -1.23 -0.16 0.00 -1.82 0.00 0.00 70.33 67.12 1su9 n THR 158 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1su9 s MET 159 N 0.56 3.05 0.76 -2.82 1.00 -1.26 -5.11 119.30 115.48 1su9 s MET 159 Ca 0.80 -0.82 -0.10 0.00 0.00 0.00 0.00 55.69 55.57 1su9 s MET 159 Cb -0.79 -2.55 0.07 0.00 0.00 0.00 0.00 34.83 31.56 1su9 s MET 159 CO 0.43 -0.11 1.11 0.95 0.00 0.00 0.00 175.02 177.39 1su9 s THR 160 N 1.08 2.21 0.35 2.05 -4.23 -1.26 -4.85 115.64 110.99 1su9 s THR 160 Ca -0.00 -0.08 0.07 0.00 -1.18 0.00 0.00 61.69 60.49 1su9 s THR 160 Cb -0.14 -3.03 0.13 0.00 1.34 0.00 0.00 72.50 70.80 1su9 s THR 160 CO -0.07 -0.04 1.85 -0.08 -0.54 0.00 0.00 174.62 175.74 1su9 h GLU 161 N -0.84 0.35 -0.64 3.99 4.81 -1.96 -1.75 114.58 118.53 1su9 h GLU 161 Ca -0.45 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 58.64 1su9 h GLU 161 Cb 1.32 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 1su9 h GLU 161 CO 0.64 0.50 0.23 1.03 -0.73 0.00 0.00 179.01 180.68 1su9 h SER 162 N 0.32 0.90 -0.30 1.04 0.87 -1.99 0.90 113.55 115.30 1su9 h SER 162 Ca 0.06 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.41 1su9 h SER 162 Cb 0.46 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1su9 h SER 162 CO 0.03 0.84 0.08 0.24 -0.53 0.00 0.00 176.83 177.49 1su9 h MET 163 N 0.91 0.47 -0.70 2.24 2.86 -1.82 -0.73 114.93 118.17 1su9 h MET 163 Ca 0.21 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1su9 h MET 163 Cb 0.24 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 1su9 h MET 163 CO -0.01 0.54 0.44 0.82 1.06 0.00 0.00 176.91 179.75 1su9 h ILE 164 N 0.32 1.11 -0.23 -1.22 2.04 -1.04 0.16 117.51 118.65 1su9 h ILE 164 Ca 0.10 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.67 1su9 h ILE 164 Cb 0.27 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1su9 h ILE 164 CO -0.00 0.16 0.12 -0.74 0.00 0.00 0.00 178.15 177.69 1su9 h HIS 165 N 0.86 0.22 -0.31 1.37 2.76 -0.58 -1.43 115.15 118.05 1su9 h HIS 165 Ca 0.28 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.37 1su9 h HIS 165 Cb 0.00 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 1su9 h HIS 165 CO -0.04 0.13 -0.16 -0.44 -1.30 0.00 0.00 177.93 176.12 1su9 h ASP 166 N 0.25 0.54 -0.43 3.26 3.32 -0.47 -2.14 116.42 120.76 1su9 h ASP 166 Ca 0.09 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1su9 h ASP 166 Cb 0.01 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1su9 h ASP 166 CO -0.06 0.73 -0.06 1.88 -1.72 0.00 0.00 179.24 180.02 1su9 h TYR 167 N 0.50 0.93 -0.07 4.55 0.05 -0.38 -1.48 116.97 121.07 1su9 h TYR 167 Ca 0.09 -0.16 -0.13 0.00 0.05 0.00 0.00 58.73 58.58 1su9 h TYR 167 Cb 0.57 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1su9 h TYR 167 CO 0.02 0.88 -0.54 0.52 -1.05 0.00 0.00 178.16 177.99 1su9 h MET 168 N 0.79 0.20 -0.10 4.88 2.86 -1.04 -2.75 114.93 119.76 1su9 h MET 168 Ca 0.14 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 1su9 h MET 168 Cb 0.55 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1su9 h MET 168 CO 0.03 0.69 -0.39 -0.91 1.06 0.00 0.00 176.91 177.40 1su9 h ASN 169 N 0.16 0.23 -0.81 1.22 2.35 -1.00 -2.30 115.58 115.41 1su9 h ASN 169 Ca 0.00 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 1su9 h ASN 169 Cb 1.01 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 39.28 1su9 h ASN 169 CO 0.08 0.60 0.34 0.25 -1.65 0.00 0.00 177.43 177.05 1su9 h LEU 170 N 0.19 1.10 -1.90 1.61 5.85 -0.98 -3.23 115.31 117.94 1su9 h LEU 170 Ca 0.02 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1su9 h LEU 170 Cb 0.77 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1su9 h LEU 170 CO 0.06 0.96 -0.00 2.30 -0.34 0.00 0.00 178.44 181.42 1su9 n ILE 171 N -4.28 0.00 -2.04 4.05 -5.35 -1.15 -4.99 119.36 105.60 1su9 n ILE 171 Ca 0.08 -0.50 -0.40 0.00 -0.27 0.00 0.00 62.75 61.66 1su9 n ILE 171 Cb 0.17 1.49 -0.01 0.00 -1.74 0.00 0.00 39.64 39.55 1su9 n ILE 171 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1su9 s LYS 172 N -1.95 4.15 0.41 6.28 -2.85 -0.88 -3.64 119.74 121.26 1su9 s LYS 172 Ca 0.27 2.25 0.22 0.00 -1.00 0.00 0.00 55.97 57.71 1su9 s LYS 172 Cb 0.19 -2.92 0.72 0.00 -2.06 0.00 0.00 37.83 33.76 1su9 s LYS 172 CO 0.29 -0.37 1.74 -1.00 0.10 0.00 0.00 175.35 176.11 1su9 h PRO 173 N 3.02 0.00 0.00 1.78 0.13 -1.76 -3.48 132.00 131.69 1su9 h PRO 173 Ca -0.49 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1su9 h PRO 173 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1su9 h PRO 173 CO 0.64 0.25 0.38 0.41 -0.23 0.00 0.00 178.00 179.46 1su9 n GLY 174 N 0.43 0.85 3.47 1.56 0.00 -1.26 -5.11 105.19 105.14 1su9 n GLY 174 Ca 0.01 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1su9 n GLY 174 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50